A0A087XVF2_POEFO Loading...

tRNA N(3)-cytidine methyltransferase

S-adenosyl-L-methionine-dependent methyltransferase.

AlphaFold DB , UniProt , Accession A0A087XVF2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 357 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.4	Very low	29.8	Very low	243 Å²	243	146.4 Å²	146.4	100%	1.197	85%	0.853	S	S	*	*				0	91.2	0	-65.7	-163.2	-119	0	0	106.6
2	A	28.3	Very low	29.7	Very low	102 Å²	102	141.6 Å²	141.6	84%	0.843	84%	0.844	S	S	*	*				75.9	94.2	97.7	0	0	0	0	0	111.7
3	A	27.1	Very low	29.4	Very low	95 Å²	95	145.9 Å²	145.9	79%	0.785	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-74.1	153.1	157.9	0	0	0	0	0	109.7
4	P	35.7	Very low	29.2	Very low	132 Å²	132	146.6 Å²	146.6	86%	0.857	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-87	133	172.6	17.3	-2.6	0	0	0	112.5
5	R	29.2	Very low	29.1	Very low	231 Å²	231	145.8 Å²	145.8	87%	0.872	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-60.6	161.2	152.8	-74.8	179.1	175.1	-177.6	-3	109.4
6	T	29.2	Very low	29.1	Very low	115 Å²	115	148.5 Å²	148.5	71%	0.706	85%	0.849	S	S	*	*			cis	-171.4	166.2	24.3	7.2	0	0	0	0	104.5
7	V	32	Very low	29.2	Very low	135 Å²	135	149.2 Å²	149.2	82%	0.818	85%	0.848	S	S	*	*				-167.1	144.5	77.8	-167.8	0	0	0	0	110.3
8	D	29.5	Very low	28.9	Very low	149 Å²	149	146.3 Å²	146.3	80%	0.797	84%	0.839	S	S	*	*			trans	-47.8	156	164.3	-52.2	-65.8	0	0	0	112.9
9	G	25.5	Very low	28.8	Very low	71 Å²	71	146.6 Å²	146.6	73%	0.732	84%	0.836	S	S	*	*			cis	119.6	106.7	34.4	0	0	0	0	0	108.1
10	V	28.4	Very low	28.6	Very low	149 Å²	149	145.6 Å²	145.6	90%	0.903	83%	0.833	S	S	*	*			trans	-147.4	113	165	-177.2	0	0	0	0	109.4
11	E	27.6	Very low	28.7	Very low	188 Å²	188	146.7 Å²	146.7	88%	0.879	84%	0.835	S	S	*	*			trans	-64.9	161.9	162.3	-69.5	175.2	153.6	0	0	110.5
12	A	28.2	Very low	28.2	Very low	89 Å²	89	140.4 Å²	140.4	74%	0.736	82%	0.816	S	S	*	*			cis	-172.6	145.1	-12.8	0	0	0	0	0	103.5
13	E	26.3	Very low	28.3	Very low	198 Å²	198	143 Å²	143	93%	0.925	82%	0.815	S	S	*	*			trans	-145.1	130.6	156.3	-108.8	-176	-176.1	0	0	110.5
14	N	26.3	Very low	28.4	Very low	156 Å²	156	143.9 Å²	143.9	83%	0.834	82%	0.815	S	S	*	*			trans	-67.7	139.2	-175.7	-75.5	-37.3	0	0	0	112.4
15	T	28.2	Very low	28	Very low	134 Å²	134	142.1 Å²	142.1	82%	0.822	81%	0.807	S	S	*	*			trans	-147.1	109	145	-34.8	0	0	0	0	109.6
16	E	29.1	Very low	28.1	Very low	189 Å²	189	136.8 Å²	136.8	88%	0.883	81%	0.805	S	S	*	*			trans	-64.2	127.7	169.7	-71.4	178.8	142.6	0	0	110.2
17	I	30	Very low	28.2	Very low	160 Å²	160	138.6 Å²	138.6	82%	0.821	81%	0.805	S	S	*	*			trans	-129	104.4	155.9	-60.2	-179.6	0	0	0	107
18	S	25	Very low	28.5	Very low	98 Å²	98	140 Å²	140	69%	0.685	81%	0.808	S	S	*	*			trans	-82.7	162.9	167.4	-179.1	0	0	0	0	110.2
19	L	26.6	Very low	28.8	Very low	152 Å²	152	138.6 Å²	138.6	80%	0.796	81%	0.805	S	S	*	*			trans	93.5	125.1	171.9	-50.8	162.8	0	0	0	113.3
20	T	25.3	Very low	29.7	Very low	125 Å²	125	144 Å²	144	77%	0.767	81%	0.808	S	S	*	*			cis	-162.1	134.5	16.7	-19.2	0	0	0	0	108.8	S22	T20-S22 PolarHBondContact O-N 2.83Å
21	L	29.2	Very low	30.5	Very low	169 Å²	169	144.1 Å²	144.1	89%	0.885	79%	0.792	S	S	*	*			trans	-65.3	112.6	167.7	-81.1	143.5	0	0	0	109.9
22	S	26.3	Very low	31.6	Very low	112 Å²	112	138.2 Å²	138.2	78%	0.783	77%	0.77	S	S	*	*			trans	-93	99.1	159.3	60.7	0	0	0	0	108.9	T20 S24	T20-S22 PolarHBondContact O-N 2.83Å; S22-S24 PolarHBondContact O-N 2.91Å
23	N	29.3	Very low	32.9	Very low	156 Å²	156	137.9 Å²	137.9	83%	0.834	75%	0.754	S	S	*	*			trans	-52.8	106.5	159.3	-90.4	-14.2	0	0	0	108.6	S25	N23-S25 PolarHBondContact O-N 2.94Å
24	S	29.2	Very low	34.2	Very low	113 Å²	113	130.9 Å²	130.9	79%	0.79	72%	0.72	S	S	*	*			trans	-85.1	108.4	156.7	64	0	0	0	0	106.7	S22 S26	S22-S24 PolarHBondContact O-N 2.91Å; S24-S26 PolarHBondContact O-N 3.49Å
25	S	28	Very low	35.6	Very low	96 Å²	96	124.3 Å²	124.3	67%	0.671	69%	0.69	S	S	*	*			trans	-45.3	121.6	168.6	43.1	0	0	0	0	109.6	N23 E27	N23-S25 PolarHBondContact O-N 2.94Å; S25-E27 PolarHBondContact O-N 3.42Å
26	S	31	Very low	37.2	Very low	119 Å²	119	122.7 Å²	122.7	83%	0.832	68%	0.68	S	S	*	*			trans	-64	83.5	162.6	55.2	0	0	0	0	107.7	S24 D28	S24-S26 PolarHBondContact O-N 3.49Å; S26-D28 PolarHBondContact O-N 2.99Å
27	E	30.6	Very low	39.1	Very low	152 Å²	152	117.2 Å²	117.2	71%	0.71	65%	0.651	S	S	*	*			trans	-60	118.9	160	-76.5	-172.1	160.8	0	0	106.8	S25 T29	S25-E27 PolarHBondContact O-N 3.42Å; E27-T29 PolarHBondContact O-N 3.29Å; E27-T29 PolarHBondContact O-OG1 3.4Å
28	D	38.2	Very low	41.4	Very low	166 Å²	166	115 Å²	115	89%	0.888	64%	0.636	S	S	*	*			trans	-63.8	76	176.3	-139.2	-2.7	0	0	0	108.2	S26 K30	S26-D28 PolarHBondContact O-N 2.99Å; D28-K30 PolarHBondContact O-N 3.33Å
29	T	37.3	Very low	43.7	Very low	119 Å²	119	112.7 Å²	112.7	73%	0.73	62%	0.615	S	S	*	*			trans	-75.2	95.9	-178	26.5	0	0	0	0	106.8	E27 R31	E27-T29 PolarHBondContact O-N 3.29Å; E27-T29 PolarHBondContact O-OG1 3.4Å; T29-R31 PolarHBondContact O-N 3.32Å
30	K	43.3	Very low	46.2	Very low	184 Å²	184	111.5 Å²	111.5	80%	0.8	61%	0.614	S	S	*	*			trans	-43.8	119.2	169.4	-74.6	-177.6	178.4	178.9	0	108.5	D28 P32	D28-K30 PolarHBondContact O-N 3.33Å; K30-P32 WeakPolarHBondContact O-CD 3.38Å; K30-P32 VanDerWaalsContact O-N 3.14Å
31	R	45.1	Very low	48.7	Very low	151 Å²	151	107 Å²	107	57%	0.57	59%	0.586	S	S	*	*			trans	-55	120.8	178.7	-164.4	177.8	-167.7	169.6	4.8	108	T29 T111	T29-R31 PolarHBondContact O-N 3.32Å; R31-T111 HydrophobicContact CB-CG2 4.47Å
32	P	51.8	Low	51.1	Low	64 Å²	64	103.8 Å²	103.8	42%	0.416	58%	0.575	S	S	.	*			trans	-61.6	151.2	179.3	20.1	-27.8	0	0	0	110.3	K30 F34 T36 T111	K30-P32 WeakPolarHBondContact O-CD 3.38Å; K30-P32 VanDerWaalsContact O-N 3.14Å; P32-F34 PolarHBondContact O-N 2.98Å; P32-T36 HydrophobicContact CG-CG2 3.45Å; P32-T36 VanDerWaalsContact CG-CG2 3.45Å; P32-T111 WeakPolarHBondContact O-CG2 3.17Å
33	Q	54.7	Low	53.7	Low	82 Å²	82	108.6 Å²	108.6	38%	0.383	58%	0.576	S	S	.	*	S	Bend	trans	-53.3	-27.7	-175.5	-167.1	172.8	13.3	0	0	112.4
34	F	53.5	Low	56.1	Low	51 Å²	51	104.3 Å²	104.3	22%	0.224	55%	0.551	C	S	.	*	S	Bend	trans	-131.7	142.1	169.6	-62.5	-77.1	0	0	0	110.8	P32 L329 Q350	P32-F34 PolarHBondContact O-N 2.98Å; F34-L329 HydrophobicContact CE1-CD1 4.4Å; F34-L329 HydrophobicContact CE2-CD1 3.5Å; F34-L329 HydrophobicContact CZ-CD1 3.38Å; F34-Q350 VanDerWaalsContact CZ-OE1 3.3Å
35	G	55.9	Low	58.5	Low	19 Å²	19	99.9 Å²	99.9	20%	0.196	52%	0.519	C	S	.	.			trans	-61.3	153.2	-167.3	0	0	0	0	0	115.1	D52	G35-D52 VanDerWaalsContact CA-OD2 3.31Å; G35-D52 WeakPolarHBondContact CA-OD2 3.4Å
36	T	61.4	Low	60.7	Low	100 Å²	100	98.5 Å²	98.5	61%	0.613	50%	0.501	S	S	*	.	S	Bend	trans	-90.8	2.6	-175.8	51.6	0	0	0	0	113.9	P32 F38	P32-T36 HydrophobicContact CG-CG2 3.45Å; P32-T36 VanDerWaalsContact CG-CG2 3.45Å; T36-F38 WeakPolarHBondContact O-CD2 3.29Å; T36-F38 PolarHBondContact O-N 3.33Å
37	R	69.7	Low	62.8	Low	73 Å²	73	97.9 Å²	97.9	28%	0.275	49%	0.485	S	S	.	.			trans	-100.2	87.3	-169.3	-59.8	165	-61.7	173.9	9.2	110.1	W51 D52	R37-W51 HydrophobicContact CB-CE3 4.3Å; R37-W51 WeakPolarHBondContact O-CA 3.44Å; R37-D52 IonicContact CZ-OD2 2.79Å; R37-D52 PolarHBondContact N-OD2 3.39Å; R37-D52 IonicContact NE-OD2 3.7Å; R37-D52 PolarHBondContact NE-OD2 3.05Å; R37-D52 IonicContact NH2-OD1 2.92Å; R37-D52 PolarHBondContact NH2-OD1 3.45Å; R37-D52 IonicContact NH2-OD2 3.18Å; R37-D52 PolarHBondContact NH2-OD2 3.25Å; R37-D52 VanDerWaalsContact NH2-OD2 3.13Å; R37-D52 PolarHBondContact O-N 3.05Å
38	F	77.3	Confident	64.8	Low	115 Å²	115	94.1 Å²	94.1	50%	0.504	47%	0.468	S	S	.	.			trans	-89.6	128.8	178.2	-57.7	-83.8	0	0	0	110.9	T36 T40 W51 N53	T36-F38 WeakPolarHBondContact O-CD2 3.29Å; T36-F38 PolarHBondContact O-N 3.33Å; F38-T40 HydrophobicContact CB-CG2 4.36Å; F38-T40 PolarHBondContact O-N 3.4Å; F38-T40 VanDerWaalsContact O-N 3.14Å; F38-W51 WeakPolarHBondContact O-CZ3 3.49Å; F38-N53 HydrophobicContact CD1-CB 4.34Å; F38-N53 HydrophobicContact CE1-CB 4.02Å; F38-N53 WeakPolarHBondContact CE1-ND2 3.47Å
39	L	74.4	Confident	66.5	Low	48 Å²	48	91.2 Å²	91.2	25%	0.251	45%	0.452	S	S	.	.			trans	-80.6	93.6	175	-177.8	63.3	0	0	0	109.1	D41 V45 W51 L334	L39-D41 VanDerWaalsContact CD1-O 3.24Å; L39-D41 WeakPolarHBondContact CD1-O 3.43Å; L39-V45 HydrophobicContact CD1-CB 4.37Å; L39-V45 HydrophobicContact CD2-CB 4.22Å; L39-V45 HydrophobicContact CD2-CG2 4.13Å; L39-W51 VanDerWaalsContact CA-CE3 3.44Å; L39-W51 HydrophobicContact CB-CB 4.03Å; L39-W51 HydrophobicContact CB-CD2 3.68Å; L39-W51 HydrophobicContact CB-CE3 3.71Å; L39-W51 HydrophobicContact CB-CG 3.84Å; L39-W51 HydrophobicContact CB-CZ3 4.33Å; L39-W51 HydrophobicContact CD1-CD2 3.91Å; L39-W51 HydrophobicContact CD1-CE3 4.18Å; L39-W51 HydrophobicContact CD1-CG 4.47Å; L39-W51 HydrophobicContact CD1-CH2 3.98Å; L39-W51 HydrophobicContact CD1-CZ2 3.76Å; L39-W51 HydrophobicContact CD1-CZ3 4.2Å; L39-W51 HydrophobicContact CG-CD2 4.31Å; L39-W51 VanDerWaalsContact N-CE3 3.3Å; L39-L334 HydrophobicContact CD2-CD2 3.77Å
40	T	78.5	Confident	68.3	Low	127 Å²	127	86.2 Å²	86.2	78%	0.779	42%	0.423	S	S	*	.			trans	-90.8	-26.4	-180	53.7	0	0	0	0	113.2	F38	F38-T40 HydrophobicContact CB-CG2 4.36Å; F38-T40 PolarHBondContact O-N 3.4Å; F38-T40 VanDerWaalsContact O-N 3.14Å
41	D	79.1	Confident	70	Confident	30 Å²	30	78 Å²	78	16%	0.16	39%	0.386	C	S	.	.	S	Bend	trans	-121.2	111.4	175.8	-179.6	-6.3	0	0	0	109.7	L39 R43 Q44	L39-D41 VanDerWaalsContact CD1-O 3.24Å; L39-D41 WeakPolarHBondContact CD1-O 3.43Å; D41-R43 PolarHBondContact O-N 3.42Å; D41-R43 WeakPolarHBondContact OD1-CB 3.44Å; D41-R43 WeakPolarHBondContact OD1-CG 3.42Å; D41-R43 IonicContact OD1-CZ 3.14Å; D41-R43 PolarHBondContact OD1-N 3.13Å; D41-R43 IonicContact OD1-NE 2.93Å; D41-R43 PolarHBondContact OD1-NE 3.27Å; D41-R43 IonicContact OD1-NH2 2.71Å; D41-R43 IonicContact OD2-CZ 3.13Å; D41-R43 IonicContact OD2-NE 2.75Å; D41-R43 PolarHBondContact OD2-NE 2.87Å; D41-R43 IonicContact OD2-NH2 3.19Å; D41-R43 PolarHBondContact OD2-NH2 2.93Å; D41-Q44 HydrophobicContact CB-CB 4.49Å; D41-Q44 HydrophobicContact CB-CG 3.9Å; D41-Q44 WeakPolarHBondContact O-CB 3.39Å; D41-Q44 PolarHBondContact O-N 2.75Å; D41-Q44 PolarHBondContact OD2-NE2 3.37Å; D41-Q44 VanDerWaalsContact OD2-NE2 3.15Å
42	P	78.7	Confident	71.6	Confident	102 Å²	102	71 Å²	71	66%	0.662	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-54.4	-26.4	-178.9	-28.1	35.3	0	0	0	114.6	Q44 V45	P42-Q44 PolarHBondContact O-N 3.17Å; P42-V45 PolarHBondContact O-N 3.24Å
43	R	81.1	Confident	72.7	Confident	213 Å²	213	71.2 Å²	71.2	80%	0.804	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-68.3	-18.1	178	-60.3	171.6	-64.5	179.9	4.8	112.6	D41	D41-R43 PolarHBondContact O-N 3.42Å; D41-R43 WeakPolarHBondContact OD1-CB 3.44Å; D41-R43 WeakPolarHBondContact OD1-CG 3.42Å; D41-R43 IonicContact OD1-CZ 3.14Å; D41-R43 PolarHBondContact OD1-N 3.13Å; D41-R43 IonicContact OD1-NE 2.93Å; D41-R43 PolarHBondContact OD1-NE 3.27Å; D41-R43 IonicContact OD1-NH2 2.71Å; D41-R43 IonicContact OD2-CZ 3.13Å; D41-R43 IonicContact OD2-NE 2.75Å; D41-R43 PolarHBondContact OD2-NE 2.87Å; D41-R43 IonicContact OD2-NH2 3.19Å; D41-R43 PolarHBondContact OD2-NH2 2.93Å
44	Q	80.1	Confident	74	Confident	66 Å²	66	68.2 Å²	68.2	31%	0.308	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-93.2	3.1	-176.6	-58.3	-171.6	35.9	0	0	112.8	D41 P42 F46 Q47 W51	D41-Q44 HydrophobicContact CB-CB 4.49Å; D41-Q44 HydrophobicContact CB-CG 3.9Å; D41-Q44 WeakPolarHBondContact O-CB 3.39Å; D41-Q44 PolarHBondContact O-N 2.75Å; D41-Q44 PolarHBondContact OD2-NE2 3.37Å; D41-Q44 VanDerWaalsContact OD2-NE2 3.15Å; P42-Q44 PolarHBondContact O-N 3.17Å; Q44-F46 PolarHBondContact O-N 2.87Å; Q44-Q47 HydrophobicContact CB-CG 4.1Å; Q44-Q47 VanDerWaalsContact O-CB 3.31Å; Q44-Q47 WeakPolarHBondContact O-CB 3.49Å; Q44-Q47 WeakPolarHBondContact O-CG 3.47Å; Q44-Q47 PolarHBondContact O-N 3.2Å; Q44-W51 VanDerWaalsContact O-CZ2 3.24Å; Q44-W51 WeakPolarHBondContact O-CZ2 3.4Å
45	V	78.3	Confident	75.1	Confident	21 Å²	21	74.1 Å²	74.1	13%	0.127	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-30.5	-173.4	67.7	0	0	0	0	114.6	L39 P42 W51 L334 V336 T343	L39-V45 HydrophobicContact CD1-CB 4.37Å; L39-V45 HydrophobicContact CD2-CB 4.22Å; L39-V45 HydrophobicContact CD2-CG2 4.13Å; P42-V45 PolarHBondContact O-N 3.24Å; V45-W51 PolarHBondContact O-NE1 3.25Å; V45-L334 HydrophobicContact CG2-CD2 3.63Å; V45-L334 HydrophobicContact CG2-CG 4.48Å; V45-V336 HydrophobicContact CG2-CG2 3.9Å; V45-V336 WeakPolarHBondContact O-CG2 3.42Å; V45-T343 HydrophobicContact CG2-CG2 4Å
46	F	74.3	Confident	76.3	Confident	67 Å²	67	74.8 Å²	74.8	29%	0.294	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-2.1	179.3	-62.7	-74.6	0	0	0	115.3	Q44 H48 V336 R338 Q341	Q44-F46 PolarHBondContact O-N 2.87Å; F46-H48 PolarHBondContact O-N 3.32Å; F46-V336 HydrophobicContact CD1-CG1 3.19Å; F46-V336 HydrophobicContact CE1-CG1 3.24Å; F46-V336 HydrophobicContact CG-CG1 4.23Å; F46-V336 HydrophobicContact CZ-CG1 4.34Å; F46-R338 HydrophobicContact CD1-CG 4.49Å; F46-R338 VanDerWaalsContact O-CZ 3.28Å; F46-R338 PolarHBondContact O-NE 2.82Å; F46-R338 PolarHBondContact O-NH2 3.19Å; F46-Q341 HydrophobicContact CE1-CB 4.26Å; F46-Q341 HydrophobicContact CZ-CB 4.17Å
47	Q	75.2	Confident	77.5	Confident	106 Å²	106	73.5 Å²	73.5	50%	0.495	36%	0.363	S	S	.	.	S	Bend	trans	-70.8	-27.2	-179.6	-70.8	-173.8	9	0	0	114	Q44 W51 R338	Q44-Q47 HydrophobicContact CB-CG 4.1Å; Q44-Q47 VanDerWaalsContact O-CB 3.31Å; Q44-Q47 WeakPolarHBondContact O-CB 3.49Å; Q44-Q47 WeakPolarHBondContact O-CG 3.47Å; Q44-Q47 PolarHBondContact O-N 3.2Å; Q47-W51 HydrophobicContact CB-CZ2 4.2Å; Q47-R338 PolarHBondContact O-NH2 3Å
48	H	72.1	Confident	78.5	Confident	73 Å²	73	78 Å²	78	34%	0.338	39%	0.387	S	S	.	.	S	Bend	trans	-122.5	160.2	173.8	-61.8	-52.5	0	0	0	110.9	F46 A50 W51 R338	F46-H48 PolarHBondContact O-N 3.32Å; H48-A50 VanDerWaalsContact C-N 3.3Å; H48-W51 HydrophobicContact CB-CZ2 4.14Å; H48-W51 AromaticContact CD2-CH2 3.35Å; H48-W51 WeakPolarHBondContact CD2-CH2 3.33Å; H48-W51 AromaticContact CD2-CZ2 3.61Å; H48-W51 AromaticContact CD2-CZ3 3.62Å; H48-R338 VanDerWaalsContact N-NH2 3.19Å
49	N	74.4	Confident	79.1	Confident	104 Å²	104	80.3 Å²	80.3	56%	0.556	40%	0.399	S	S	*	.	S	Bend	trans	-81.2	-16.7	176.6	-70.8	-23.3	0	0	0	112	V336 R338	N49-V336 PolarHBondContact O-N 2.89Å; N49-R338 VanDerWaalsContact OD1-CZ 3.27Å; N49-R338 PolarHBondContact OD1-NE 3.03Å; N49-R338 PolarHBondContact OD1-NH2 3.36Å
50	A	75.1	Confident	79.8	Confident	14 Å²	14	80.8 Å²	80.8	12%	0.116	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	146.5	175.2	0	0	0	0	0	110.5	H48 L334 Q335	H48-A50 VanDerWaalsContact C-N 3.3Å; A50-L334 CarbonylContact C-O 3.38Å; A50-L334 VanDerWaalsContact CA-O 3.23Å; A50-L334 WeakPolarHBondContact CA-O 3.49Å; A50-Q335 HydrophobicContact CB-CG 4.38Å
51	W	78.6	Confident	80.3	Confident	11 Å²	11	77.9 Å²	77.9	4%	0.042	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142.7	170.3	-57.3	89.4	0	0	0	109.4	R37 F38 L39 Q44 V45 Q47 H48 V54 R333 L334	R37-W51 HydrophobicContact CB-CE3 4.3Å; R37-W51 WeakPolarHBondContact O-CA 3.44Å; F38-W51 WeakPolarHBondContact O-CZ3 3.49Å; L39-W51 VanDerWaalsContact CA-CE3 3.44Å; L39-W51 HydrophobicContact CB-CB 4.03Å; L39-W51 HydrophobicContact CB-CD2 3.68Å; L39-W51 HydrophobicContact CB-CE3 3.71Å; L39-W51 HydrophobicContact CB-CG 3.84Å; L39-W51 HydrophobicContact CB-CZ3 4.33Å; L39-W51 HydrophobicContact CD1-CD2 3.91Å; L39-W51 HydrophobicContact CD1-CE3 4.18Å; L39-W51 HydrophobicContact CD1-CG 4.47Å; L39-W51 HydrophobicContact CD1-CH2 3.98Å; L39-W51 HydrophobicContact CD1-CZ2 3.76Å; L39-W51 HydrophobicContact CD1-CZ3 4.2Å; L39-W51 HydrophobicContact CG-CD2 4.31Å; L39-W51 VanDerWaalsContact N-CE3 3.3Å; Q44-W51 VanDerWaalsContact O-CZ2 3.24Å; Q44-W51 WeakPolarHBondContact O-CZ2 3.4Å; V45-W51 PolarHBondContact O-NE1 3.25Å; Q47-W51 HydrophobicContact CB-CZ2 4.2Å; H48-W51 HydrophobicContact CB-CZ2 4.14Å; H48-W51 AromaticContact CD2-CH2 3.35Å; H48-W51 WeakPolarHBondContact CD2-CH2 3.33Å; H48-W51 AromaticContact CD2-CZ2 3.61Å; H48-W51 AromaticContact CD2-CZ3 3.62Å; W51-V54 HydrophobicContact CB-CG2 4.01Å; W51-R333 VanDerWaalsContact O-CA 3.31Å; W51-R333 WeakPolarHBondContact O-CA 3.23Å; W51-L334 HydrophobicContact CB-CB 4.29Å; W51-L334 PolarHBondContact N-O 2.87Å; W51-L334 PolarHBondContact O-N 3.12Å
52	D	79.6	Confident	81.1	Confident	5 Å²	5	81.6 Å²	81.6	3%	0.027	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	150.2	-171	-52.7	-58.1	0	0	0	109.7	G35 R37 V54	G35-D52 VanDerWaalsContact CA-OD2 3.31Å; G35-D52 WeakPolarHBondContact CA-OD2 3.4Å; R37-D52 IonicContact CZ-OD2 2.79Å; R37-D52 PolarHBondContact N-OD2 3.39Å; R37-D52 IonicContact NE-OD2 3.7Å; R37-D52 PolarHBondContact NE-OD2 3.05Å; R37-D52 IonicContact NH2-OD1 2.92Å; R37-D52 PolarHBondContact NH2-OD1 3.45Å; R37-D52 IonicContact NH2-OD2 3.18Å; R37-D52 PolarHBondContact NH2-OD2 3.25Å; R37-D52 VanDerWaalsContact NH2-OD2 3.13Å; R37-D52 PolarHBondContact O-N 3.05Å; D52-V54 PolarHBondContact O-N 2.95Å
53	N	75.8	Confident	81.8	Confident	68 Å²	68	79.6 Å²	79.6	36%	0.364	39%	0.386	S	S	.	.	S	Bend	trans	54.4	45.1	177.4	-55.9	-45.4	0	0	0	114.7	F38 E55 R332	F38-N53 HydrophobicContact CD1-CB 4.34Å; F38-N53 HydrophobicContact CE1-CB 4.02Å; F38-N53 WeakPolarHBondContact CE1-ND2 3.47Å; N53-E55 PolarHBondContact O-N 3.24Å; N53-R332 PolarHBondContact N-O 2.96Å; N53-R332 VanDerWaalsContact N-O 3.11Å
54	V	80	Confident	82.4	Confident	20 Å²	20	69.7 Å²	69.7	12%	0.121	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-77.2	116.3	-178.5	-178.7	0	0	0	0	110.5	W51 D52 R332 L334 Y345	W51-V54 HydrophobicContact CB-CG2 4.01Å; D52-V54 PolarHBondContact O-N 2.95Å; V54-R332 PolarHBondContact N-O 3.35Å; V54-R332 WeakPolarHBondContact O-CB 3.13Å; V54-R332 WeakPolarHBondContact O-CD 3.42Å; V54-L334 HydrophobicContact CB-CB 4.39Å; V54-L334 HydrophobicContact CG1-CB 4.49Å; V54-L334 HydrophobicContact CG2-CB 3.7Å; V54-Y345 HydrophobicContact CG1-CE1 3.96Å
55	E	78.3	Confident	83.1	Confident	174 Å²	174	69.9 Å²	69.9	81%	0.813	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-74.5	142.2	171.8	-66	-173.7	170.1	0	0	110.5	N53	N53-E55 PolarHBondContact O-N 3.24Å
56	W	81.3	Confident	83.9	Confident	34 Å²	34	75.6 Å²	75.6	13%	0.129	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-96.1	144.9	175.6	-77.6	23.8	0	0	0	108.8	Q60 A64 Y280 L285 Y345 V347	W56-Q60 HydrophobicContact CB-CB 4.2Å; W56-Q60 HydrophobicContact CD2-CB 4.29Å; W56-Q60 HydrophobicContact CE3-CB 4.06Å; W56-Q60 HydrophobicContact CG-CB 4.4Å; W56-A64 HydrophobicContact CH2-CB 4.09Å; W56-A64 HydrophobicContact CZ3-CB 3.48Å; W56-A64 VanDerWaalsContact CZ3-CB 3.48Å; W56-Y280 WeakPolarHBondContact CH2-O 3.36Å; W56-Y280 HydrophobicContact CZ3-CG 4.49Å; W56-L285 HydrophobicContact CH2-CD1 4.21Å; W56-Y345 HydrophobicContact CZ2-CG 4.22Å; W56-Y345 AromaticContact NE1-CD1 3.45Å; W56-Y345 AromaticContact NE1-CG 3.98Å; W56-V347 HydrophobicContact CZ2-CG2 4.33Å
57	T	86.6	Confident	84.9	Confident	73 Å²	73	76 Å²	76	45%	0.448	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-71.5	157.8	167.1	69.5	0	0	0	0	110.2	E59 Q60 E61	T57-E59 PolarHBondContact O-N 3.09Å; T57-Q60 WeakPolarHBondContact O-CB 3.4Å; T57-Q60 PolarHBondContact O-N 3.32Å; T57-Q60 WeakPolarHBondContact OG1-CG 3.23Å; T57-Q60 PolarHBondContact OG1-N 2.83Å; T57-E61 PolarHBondContact O-N 2.87Å
58	E	88.9	Confident	85.8	Confident	168 Å²	168	71.4 Å²	71.4	79%	0.785	35%	0.353	S	S	*	.	H	α-helix	trans	-54.6	-39.4	174	-65.9	-180	176.2	0	0	111.6	Q60 E61 E62	E58-Q60 PolarHBondContact O-N 2.77Å; E58-E61 PolarHBondContact O-N 3.17Å; E58-E62 WeakPolarHBondContact O-CG 3.46Å; E58-E62 PolarHBondContact O-N 3.02Å
59	E	90.2	Very high	86.8	Confident	162 Å²	162	72 Å²	72	76%	0.757	37%	0.366	S	S	*	.	H	α-helix	trans	-62	-40.6	176.5	-62.9	175	172.4	0	0	112.8	T57 E61 A63	T57-E59 PolarHBondContact O-N 3.09Å; E59-E61 VanDerWaalsContact C-N 3.35Å; E59-A63 VanDerWaalsContact O-CB 3.27Å; E59-A63 WeakPolarHBondContact O-CB 3.46Å; E59-A63 PolarHBondContact O-N 2.92Å
60	Q	88.9	Confident	87.7	Confident	59 Å²	59	70.7 Å²	70.7	28%	0.276	36%	0.356	S	S	.	.	H	α-helix	trans	-66.4	-40	176.5	-73	176.4	-56.8	0	0	111.2	W56 T57 E58 A64 Y345	W56-Q60 HydrophobicContact CB-CB 4.2Å; W56-Q60 HydrophobicContact CD2-CB 4.29Å; W56-Q60 HydrophobicContact CE3-CB 4.06Å; W56-Q60 HydrophobicContact CG-CB 4.4Å; T57-Q60 WeakPolarHBondContact O-CB 3.4Å; T57-Q60 PolarHBondContact O-N 3.32Å; T57-Q60 WeakPolarHBondContact OG1-CG 3.23Å; T57-Q60 PolarHBondContact OG1-N 2.83Å; E58-Q60 PolarHBondContact O-N 2.77Å; Q60-A64 WeakPolarHBondContact O-CB 3.31Å; Q60-A64 PolarHBondContact O-N 2.99Å; Q60-Y345 PolarHBondContact NE2-OH 3.13Å
61	E	90.9	Very high	88.6	Confident	65 Å²	65	70.3 Å²	70.3	30%	0.304	35%	0.352	S	S	.	.	H	α-helix	trans	-66.2	-46.2	177.6	-164.9	-179.6	132	0	0	111.8	T57 E58 E59 A63 A64 K65	T57-E61 PolarHBondContact O-N 2.87Å; E58-E61 PolarHBondContact O-N 3.17Å; E59-E61 VanDerWaalsContact C-N 3.35Å; E61-A63 PolarHBondContact O-N 3.04Å; E61-A64 PolarHBondContact O-N 3.05Å; E61-K65 WeakPolarHBondContact O-CG 3.28Å; E61-K65 PolarHBondContact O-N 2.65Å; E61-K65 WeakPolarHBondContact OE1-CE 3.45Å; E61-K65 IonicContact OE1-NZ 2.83Å; E61-K65 PolarHBondContact OE1-NZ 3.05Å
62	E	94.2	Very high	89.1	Confident	109 Å²	109	71.6 Å²	71.6	51%	0.509	36%	0.36	S	S	.	.	H	α-helix	trans	-63.4	-39.7	176	-74	-53.8	132.6	0	0	112.4	E58 A64 K65 K66	E58-E62 WeakPolarHBondContact O-CG 3.46Å; E58-E62 PolarHBondContact O-N 3.02Å; E62-A64 VanDerWaalsContact C-N 3.31Å; E62-A64 PolarHBondContact O-N 3.01Å; E62-K65 PolarHBondContact O-N 3.46Å; E62-K65 WeakPolarHBondContact OE1-CD 3.41Å; E62-K65 IonicContact OE1-NZ 2.91Å; E62-K65 PolarHBondContact OE1-NZ 3.38Å; E62-K66 WeakPolarHBondContact O-CB 3.49Å; E62-K66 PolarHBondContact O-N 3.11Å
63	A	94.1	Very high	89.6	Confident	60 Å²	60	75.8 Å²	75.8	50%	0.496	38%	0.379	S	S	.	.	H	α-helix	trans	-61.3	-40.2	173.7	0	0	0	0	0	112	E59 E61 K67	E59-A63 VanDerWaalsContact O-CB 3.27Å; E59-A63 WeakPolarHBondContact O-CB 3.46Å; E59-A63 PolarHBondContact O-N 2.92Å; E61-A63 PolarHBondContact O-N 3.04Å; A63-K67 WeakPolarHBondContact O-CB 3.27Å; A63-K67 PolarHBondContact O-N 3.04Å
64	A	94.3	Very high	90.5	Very high	4 Å²	4	76.4 Å²	76.4	3%	0.033	39%	0.387	C	S	.	.	H	α-helix	trans	-70	-42.5	177.1	0	0	0	0	0	112.7	W56 Q60 E61 E62 K66 K67 V68 Y280 L285	W56-A64 HydrophobicContact CH2-CB 4.09Å; W56-A64 HydrophobicContact CZ3-CB 3.48Å; W56-A64 VanDerWaalsContact CZ3-CB 3.48Å; Q60-A64 WeakPolarHBondContact O-CB 3.31Å; Q60-A64 PolarHBondContact O-N 2.99Å; E61-A64 PolarHBondContact O-N 3.05Å; E62-A64 VanDerWaalsContact C-N 3.31Å; E62-A64 PolarHBondContact O-N 3.01Å; A64-K66 PolarHBondContact O-N 2.93Å; A64-K67 PolarHBondContact O-N 3.34Å; A64-K67 VanDerWaalsContact O-N 3.11Å; A64-V68 WeakPolarHBondContact O-CG2 3.42Å; A64-V68 PolarHBondContact O-N 2.81Å; A64-Y280 HydrophobicContact CB-CD1 3.85Å; A64-Y280 HydrophobicContact CB-CG 3.92Å; A64-L285 HydrophobicContact CB-CD1 4.06Å; A64-L285 HydrophobicContact CB-CD2 3.91Å
65	K	94.8	Very high	91.3	Very high	71 Å²	71	76.9 Å²	76.9	31%	0.309	39%	0.389	S	S	.	.	H	α-helix	trans	-55.3	-51.1	172.7	-77.2	169.8	-174.7	162.9	0	111.2	E61 E62 K67 V68 S69 Y280	E61-K65 WeakPolarHBondContact O-CG 3.28Å; E61-K65 PolarHBondContact O-N 2.65Å; E61-K65 WeakPolarHBondContact OE1-CE 3.45Å; E61-K65 IonicContact OE1-NZ 2.83Å; E61-K65 PolarHBondContact OE1-NZ 3.05Å; E62-K65 PolarHBondContact O-N 3.46Å; E62-K65 WeakPolarHBondContact OE1-CD 3.41Å; E62-K65 IonicContact OE1-NZ 2.91Å; E62-K65 PolarHBondContact OE1-NZ 3.38Å; K65-K67 VanDerWaalsContact C-N 3.26Å; K65-K67 PolarHBondContact O-N 2.9Å; K65-V68 PolarHBondContact O-N 3.49Å; K65-S69 PolarHBondContact O-N 3.08Å; K65-Y280 HydrophobicContact CG-CE1 4.19Å; K65-Y280 VanDerWaalsContact CG-OH 3.29Å; K65-Y280 WeakPolarHBondContact CG-OH 3.45Å
66	K	95.4	Very high	92.2	Very high	140 Å²	140	72.7 Å²	72.7	61%	0.609	38%	0.376	S	S	*	.	H	α-helix	trans	-56	-43.8	175.6	-175.1	-179.1	178.1	-179.2	0	111	E62 A64 S69 E70	E62-K66 WeakPolarHBondContact O-CB 3.49Å; E62-K66 PolarHBondContact O-N 3.11Å; A64-K66 PolarHBondContact O-N 2.93Å; K66-S69 PolarHBondContact O-N 2.96Å; K66-E70 WeakPolarHBondContact CE-OE1 3.41Å; K66-E70 WeakPolarHBondContact O-CG 3.4Å; K66-E70 PolarHBondContact O-N 3.19Å
67	K	94.7	Very high	92.9	Very high	77 Å²	77	76.8 Å²	76.8	34%	0.335	40%	0.4	S	S	.	.	H	α-helix	trans	-67.8	-39.4	-177.9	-168.3	61	-176.1	170.4	0	113.4	A63 A64 K65 E70 N71 L285	A63-K67 WeakPolarHBondContact O-CB 3.27Å; A63-K67 PolarHBondContact O-N 3.04Å; A64-K67 PolarHBondContact O-N 3.34Å; A64-K67 VanDerWaalsContact O-N 3.11Å; K65-K67 VanDerWaalsContact C-N 3.26Å; K65-K67 PolarHBondContact O-N 2.9Å; K67-E70 WeakPolarHBondContact CD-OE2 3.44Å; K67-E70 IonicContact NZ-OE2 2.6Å; K67-E70 PolarHBondContact NZ-OE2 3.34Å; K67-E70 PolarHBondContact O-N 3.19Å; K67-N71 WeakPolarHBondContact O-CB 3.47Å; K67-N71 PolarHBondContact O-N 3.3Å; K67-N71 PolarHBondContact O-OD1 3.38Å; K67-L285 HydrophobicContact CB-CD2 4.22Å; K67-L285 HydrophobicContact CG-CB 4.35Å; K67-L285 HydrophobicContact CG-CD2 4.44Å; K67-L285 WeakPolarHBondContact CG-O 3.47Å
68	V	94.4	Very high	93.3	Very high	8 Å²	8	80.6 Å²	80.6	5%	0.048	41%	0.413	C	S	.	.	H	α-helix	trans	-63.2	-44.4	173.8	170	0	0	0	0	110.5	A64 K65 E70 N71 N72 Y280 Q284 L285 N296	A64-V68 WeakPolarHBondContact O-CG2 3.42Å; A64-V68 PolarHBondContact O-N 2.81Å; K65-V68 PolarHBondContact O-N 3.49Å; V68-E70 VanDerWaalsContact C-N 3.33Å; V68-E70 PolarHBondContact O-N 2.67Å; V68-N71 CarbonylContact O-C 3.58Å; V68-N71 PolarHBondContact O-N 2.9Å; V68-N72 WeakPolarHBondContact O-CB 3.39Å; V68-N72 PolarHBondContact O-N 3.05Å; V68-N72 PolarHBondContact O-OD1 2.92Å; V68-Y280 HydrophobicContact CB-CE1 4.36Å; V68-Y280 HydrophobicContact CG2-CD1 3.67Å; V68-Y280 HydrophobicContact CG2-CE1 3.83Å; V68-Q284 HydrophobicContact CG2-CG 4.18Å; V68-L285 HydrophobicContact CG2-CD2 3.83Å; V68-N296 WeakPolarHBondContact CG1-OD1 3.39Å
69	S	93.1	Very high	93.7	Very high	86 Å²	86	76.6 Å²	76.6	60%	0.601	39%	0.393	S	S	*	.	H	α-helix	trans	-58.8	-42.4	175.6	179.9	0	0	0	0	112.4	K65 K66 N71 N72	K65-S69 PolarHBondContact O-N 3.08Å; K66-S69 PolarHBondContact O-N 2.96Å; S69-N71 VanDerWaalsContact C-N 3.29Å; S69-N71 PolarHBondContact O-N 3.08Å; S69-N72 PolarHBondContact O-N 3.1Å
70	E	93.3	Very high	94	Very high	77 Å²	77	70.4 Å²	70.4	36%	0.36	36%	0.364	S	S	.	.	H	α-helix	trans	-62.3	-35.4	173.9	-72.5	173.6	-173.5	0	0	113.2	K66 K67 V68	K66-E70 WeakPolarHBondContact CE-OE1 3.41Å; K66-E70 WeakPolarHBondContact O-CG 3.4Å; K66-E70 PolarHBondContact O-N 3.19Å; K67-E70 WeakPolarHBondContact CD-OE2 3.44Å; K67-E70 IonicContact NZ-OE2 2.6Å; K67-E70 PolarHBondContact NZ-OE2 3.34Å; K67-E70 PolarHBondContact O-N 3.19Å; V68-E70 VanDerWaalsContact C-N 3.33Å; V68-E70 PolarHBondContact O-N 2.67Å
71	N	92.6	Very high	94.3	Very high	6 Å²	6	73.8 Å²	73.8	3%	0.032	38%	0.38	C	S	.	.	H	α-helix	trans	-80.7	-21.3	-178.7	-70.2	-7.1	0	0	0	112.6	K67 V68 S69 Q73 Q284 F287 C292 Y298	K67-N71 WeakPolarHBondContact O-CB 3.47Å; K67-N71 PolarHBondContact O-N 3.3Å; K67-N71 PolarHBondContact O-OD1 3.38Å; V68-N71 CarbonylContact O-C 3.58Å; V68-N71 PolarHBondContact O-N 2.9Å; S69-N71 VanDerWaalsContact C-N 3.29Å; S69-N71 PolarHBondContact O-N 3.08Å; N71-Q73 PolarHBondContact O-N 3.15Å; N71-Q284 PolarHBondContact ND2-O 3.22Å; N71-F287 PolarHBondContact ND2-O 3.22Å; N71-F287 PolarHBondContact OD1-O 2.87Å; N71-C292 WeakPolarHBondContact O-CB 3.28Å; N71-Y298 HydrophobicContact CB-CE1 4.13Å
72	N	89.1	Confident	94.6	Very high	37 Å²	37	73.3 Å²	73.3	20%	0.198	38%	0.378	C	S	.	.			trans	-77.3	60.8	179.7	-73.8	-7	0	0	0	111.7	V68 S69 E295 Y298	V68-N72 WeakPolarHBondContact O-CB 3.39Å; V68-N72 PolarHBondContact O-N 3.05Å; V68-N72 PolarHBondContact O-OD1 2.92Å; S69-N72 PolarHBondContact O-N 3.1Å; N72-E295 WeakPolarHBondContact ND2-CG 3.28Å; N72-Y298 PolarHBondContact OD1-OH 3.27Å
73	Q	91.9	Very high	94.7	Very high	93 Å²	93	70 Å²	70	44%	0.435	36%	0.361	S	S	.	.			trans	-117.4	93	173.4	-63.7	-171.3	-1.6	0	0	108.6	N71 C292	N71-Q73 PolarHBondContact O-N 3.15Å; Q73-C292 WeakPolarHBondContact O-CB 3.43Å
74	P	94.1	Very high	94.7	Very high	82 Å²	82	69.6 Å²	69.6	53%	0.532	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-56.3	142.9	-175	-26.4	35	0	0	0	112.8	C292	P74-C292 CarbonylContact C-O 3.58Å; P74-C292 WeakPolarHBondContact CA-O 3.47Å
75	L	96	Very high	94.6	Very high	29 Å²	29	73.7 Å²	73.7	15%	0.152	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-62.8	160	169.6	-78.7	166.7	0	0	0	111.1	K79 Q80 Y83 G290 C292 L293 V299	L75-K79 HydrophobicContact CB-CB 4.17Å; L75-Q80 HydrophobicContact CB-CG 4.19Å; L75-Q80 PolarHBondContact O-NE2 3.08Å; L75-Y83 HydrophobicContact CD1-CD2 4.24Å; L75-Y83 HydrophobicContact CD1-CE2 3.95Å; L75-G290 WeakPolarHBondContact CD2-O 3.36Å; L75-C292 WeakPolarHBondContact CG-O 3.48Å; L75-C292 PolarHBondContact N-O 2.95Å; L75-L293 HydrophobicContact CD1-CD2 4.19Å; L75-V299 HydrophobicContact CD1-CG1 4.23Å
76	P	96.9	Very high	94.6	Very high	86 Å²	86	74.7 Å²	74.7	56%	0.558	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-54.2	146.1	168.5	-24	34.4	0	0	0	111.6	E78 K79 Q80	P76-E78 VanDerWaalsContact C-N 3.28Å; P76-E78 PolarHBondContact O-N 3.32Å; P76-K79 WeakPolarHBondContact O-CB 3.4Å; P76-K79 PolarHBondContact O-N 3.1Å; P76-Q80 PolarHBondContact O-N 3.2Å; P76-Q80 VanDerWaalsContact O-N 3.14Å
77	L	95.8	Very high	94.6	Very high	121 Å²	121	68.3 Å²	68.3	63%	0.634	35%	0.354	S	S	*	.	H	α-helix	trans	-53.4	-43.2	-175.4	-71.3	174.3	0	0	0	113	K79 Q80 E81	L77-K79 PolarHBondContact O-N 3.35Å; L77-Q80 WeakPolarHBondContact O-CA 3.47Å; L77-Q80 WeakPolarHBondContact O-CB 3.07Å; L77-Q80 PolarHBondContact O-N 2.83Å; L77-E81 WeakPolarHBondContact O-CG 3.48Å; L77-E81 PolarHBondContact O-N 3.49Å
78	E	96.6	Very high	94.6	Very high	152 Å²	152	66.4 Å²	66.4	71%	0.71	35%	0.35	S	S	*	.	H	α-helix	trans	-53.3	-41	176	-177.2	-174.4	-173.3	0	0	112.4	P76 E82	P76-E78 VanDerWaalsContact C-N 3.28Å; P76-E78 PolarHBondContact O-N 3.32Å; E78-E82 WeakPolarHBondContact O-CB 3.45Å; E78-E82 PolarHBondContact O-N 2.87Å
79	K	96.3	Very high	94.6	Very high	84 Å²	84	70.3 Å²	70.3	37%	0.365	37%	0.368	S	S	.	.	H	α-helix	trans	-73.1	-35.2	177.1	-73.7	-66.5	177	-167.6	0	112.4	L75 P76 L77 E82 Y83	L75-K79 HydrophobicContact CB-CB 4.17Å; P76-K79 WeakPolarHBondContact O-CB 3.4Å; P76-K79 PolarHBondContact O-N 3.1Å; L77-K79 PolarHBondContact O-N 3.35Å; K79-E82 WeakPolarHBondContact CD-OE2 3.45Å; K79-E82 IonicContact NZ-OE2 3.4Å; K79-E82 PolarHBondContact NZ-OE2 3.22Å; K79-E82 PolarHBondContact O-N 2.91Å; K79-Y83 WeakPolarHBondContact O-CD2 3.47Å; K79-Y83 PolarHBondContact O-N 3.32Å; K79-Y83 VanDerWaalsContact O-N 3.08Å
80	Q	96.4	Very high	94.8	Very high	33 Å²	33	67.3 Å²	67.3	15%	0.154	34%	0.344	C	S	.	.	H	α-helix	trans	-63.6	-45.2	174	-59	-179.1	34	0	0	110.7	L75 P76 L77 Y83 N84 L293	L75-Q80 HydrophobicContact CB-CG 4.19Å; L75-Q80 PolarHBondContact O-NE2 3.08Å; P76-Q80 PolarHBondContact O-N 3.2Å; P76-Q80 VanDerWaalsContact O-N 3.14Å; L77-Q80 WeakPolarHBondContact O-CA 3.47Å; L77-Q80 WeakPolarHBondContact O-CB 3.07Å; L77-Q80 PolarHBondContact O-N 2.83Å; Q80-Y83 PolarHBondContact O-N 2.98Å; Q80-N84 WeakPolarHBondContact O-CB 3.34Å; Q80-N84 PolarHBondContact O-N 3.14Å; Q80-N84 PolarHBondContact O-ND2 3.49Å; Q80-L293 HydrophobicContact CB-CD2 4.45Å; Q80-L293 HydrophobicContact CG-CD2 4.33Å; Q80-L293 PolarHBondContact NE2-O 3.33Å; Q80-L293 PolarHBondContact OE1-O 2.9Å; Q80-L293 VanDerWaalsContact OE1-O 3.1Å
81	E	95.7	Very high	95	Very high	129 Å²	129	65.3 Å²	65.3	60%	0.603	33%	0.333	S	S	*	.	H	α-helix	trans	-63.1	-40.6	176.3	-70.6	174	-179.5	0	0	112.3	L77 N84 S85	L77-E81 WeakPolarHBondContact O-CG 3.48Å; L77-E81 PolarHBondContact O-N 3.49Å; E81-N84 PolarHBondContact O-N 2.77Å; E81-S85 WeakPolarHBondContact O-CB 3.14Å; E81-S85 PolarHBondContact O-N 3.01Å; E81-S85 PolarHBondContact O-OG 2.93Å
82	E	96.3	Very high	95.1	Very high	56 Å²	56	66.9 Å²	66.9	26%	0.262	34%	0.341	S	S	.	.	H	α-helix	trans	-57.8	-51.1	173	-175.2	-173.4	168.2	0	0	111	E78 K79 N84 S85 R86	E78-E82 WeakPolarHBondContact O-CB 3.45Å; E78-E82 PolarHBondContact O-N 2.87Å; K79-E82 WeakPolarHBondContact CD-OE2 3.45Å; K79-E82 IonicContact NZ-OE2 3.4Å; K79-E82 PolarHBondContact NZ-OE2 3.22Å; K79-E82 PolarHBondContact O-N 2.91Å; E82-N84 VanDerWaalsContact C-N 3.29Å; E82-N84 PolarHBondContact O-N 3.22Å; E82-S85 PolarHBondContact O-N 2.84Å; E82-S85 PolarHBondContact O-OG 2.79Å; E82-R86 WeakPolarHBondContact O-CB 3.49Å; E82-R86 WeakPolarHBondContact O-CG 3.26Å; E82-R86 PolarHBondContact O-N 3.04Å; E82-R86 VanDerWaalsContact O-N 3.12Å; E82-R86 IonicContact OE1-NH1 2.76Å
83	Y	96.6	Very high	95.4	Very high	40 Å²	40	70.4 Å²	70.4	16%	0.157	36%	0.357	C	S	.	.	H	α-helix	trans	-66.9	-30.6	179.8	-76.1	-58.4	0	0	0	113.2	L75 K79 Q80 A87 Y90 L293 V299	L75-Y83 HydrophobicContact CD1-CD2 4.24Å; L75-Y83 HydrophobicContact CD1-CE2 3.95Å; K79-Y83 WeakPolarHBondContact O-CD2 3.47Å; K79-Y83 PolarHBondContact O-N 3.32Å; K79-Y83 VanDerWaalsContact O-N 3.08Å; Q80-Y83 PolarHBondContact O-N 2.98Å; Y83-A87 PolarHBondContact O-N 2.95Å; Y83-Y90 HydrophobicContact CD1-CD2 4.42Å; Y83-Y90 AromaticContact CD1-CE2 3.58Å; Y83-Y90 HydrophobicContact CD1-CE2 3.58Å; Y83-Y90 AromaticContact CD1-CZ 3.77Å; Y83-Y90 HydrophobicContact CE1-CE2 4.14Å; Y83-Y90 AromaticContact CE1-CZ 3.85Å; Y83-L293 HydrophobicContact CD2-CD2 3.79Å; Y83-L293 HydrophobicContact CG-CD2 4.22Å; Y83-V299 HydrophobicContact CD1-CG2 3.65Å; Y83-V299 HydrophobicContact CD2-CB 4.44Å; Y83-V299 HydrophobicContact CD2-CG1 4.27Å; Y83-V299 HydrophobicContact CD2-CG2 4.37Å; Y83-V299 HydrophobicContact CE1-CG2 3.57Å; Y83-V299 HydrophobicContact CE2-CB 4.45Å; Y83-V299 HydrophobicContact CE2-CG1 3.89Å; Y83-V299 HydrophobicContact CE2-CG2 4.29Å; Y83-V299 HydrophobicContact CG-CB 4.49Å; Y83-V299 HydrophobicContact CG-CG2 4.08Å
84	N	93.7	Very high	95.7	Very high	51 Å²	51	66.4 Å²	66.4	27%	0.273	34%	0.338	S	S	.	.	H	α-helix	trans	-74.1	-46.6	177.5	-73.3	-20.2	0	0	0	112.1	Q80 E81 E82 R86 R305	Q80-N84 WeakPolarHBondContact O-CB 3.34Å; Q80-N84 PolarHBondContact O-N 3.14Å; Q80-N84 PolarHBondContact O-ND2 3.49Å; E81-N84 PolarHBondContact O-N 2.77Å; E82-N84 VanDerWaalsContact C-N 3.29Å; E82-N84 PolarHBondContact O-N 3.22Å; N84-R86 VanDerWaalsContact C-N 3.34Å; N84-R86 PolarHBondContact O-N 3.26Å; N84-R305 PolarHBondContact OD1-NH1 3.39Å
85	S	93.8	Very high	95.7	Very high	89 Å²	89	63 Å²	63	62%	0.622	31%	0.314	S	S	*	.	H	α-helix	trans	-69.1	-30.3	-178.6	55	0	0	0	0	113.4	E81 E82	E81-S85 WeakPolarHBondContact O-CB 3.14Å; E81-S85 PolarHBondContact O-N 3.01Å; E81-S85 PolarHBondContact O-OG 2.93Å; E82-S85 PolarHBondContact O-N 2.84Å; E82-S85 PolarHBondContact O-OG 2.79Å
86	R	95.1	Very high	95.7	Very high	92 Å²	92	65.6 Å²	65.6	35%	0.347	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	13.7	-176.9	-58	179.3	66.6	-163.9	-3.4	113.8	E82 N84 S88 E89 Y90	E82-R86 WeakPolarHBondContact O-CB 3.49Å; E82-R86 WeakPolarHBondContact O-CG 3.26Å; E82-R86 PolarHBondContact O-N 3.04Å; E82-R86 VanDerWaalsContact O-N 3.12Å; E82-R86 IonicContact OE1-NH1 2.76Å; N84-R86 VanDerWaalsContact C-N 3.34Å; N84-R86 PolarHBondContact O-N 3.26Å; R86-S88 PolarHBondContact O-N 2.89Å; R86-S88 VanDerWaalsContact O-N 3.15Å; R86-E89 IonicContact CZ-OE2 3.39Å; R86-E89 VanDerWaalsContact CZ-OE2 3.28Å; R86-E89 IonicContact NE-OE1 2.63Å; R86-E89 IonicContact NE-OE2 3.45Å; R86-E89 PolarHBondContact NE-OE2 3.39Å; R86-E89 IonicContact NH2-OE2 3.8Å; R86-E89 PolarHBondContact NH2-OE2 3.24Å; R86-E89 WeakPolarHBondContact O-CB 3.35Å; R86-E89 PolarHBondContact O-N 3.35Å; R86-Y90 HydrophobicContact CB-CD2 4.33Å; R86-Y90 HydrophobicContact CB-CE2 3.76Å; R86-Y90 WeakPolarHBondContact O-CD2 3.01Å; R86-Y90 PolarHBondContact O-N 3.38Å
87	A	94.8	Very high	95.5	Very high	6 Å²	6	66 Å²	66	5%	0.05	33%	0.328	C	S	.	.	H	α-helix	trans	-55.1	-36.2	-175	0	0	0	0	0	113.1	Y83 W91 F198	Y83-A87 PolarHBondContact O-N 2.95Å; A87-W91 PolarHBondContact O-N 3.08Å; A87-F198 HydrophobicContact CB-CE1 3.87Å; A87-F198 HydrophobicContact CB-CZ 4.47Å
88	S	93.3	Very high	95.3	Very high	37 Å²	37	63 Å²	63	26%	0.259	31%	0.311	S	S	.	.	H	α-helix	trans	-67.3	-40.7	177.5	52.5	0	0	0	0	112.3	R86 Y90 W91 N92	R86-S88 PolarHBondContact O-N 2.89Å; R86-S88 VanDerWaalsContact O-N 3.15Å; S88-Y90 PolarHBondContact O-N 3.07Å; S88-W91 PolarHBondContact O-N 3.49Å; S88-N92 WeakPolarHBondContact O-CB 3.37Å; S88-N92 PolarHBondContact O-N 3.04Å
89	E	95.8	Very high	95.1	Very high	91 Å²	91	59.8 Å²	59.8	43%	0.425	30%	0.296	S	S	.	.	H	α-helix	trans	-60.9	-45.2	179.6	-62.6	175	-154.1	0	0	111	R86 W91 N92 E93	R86-E89 IonicContact CZ-OE2 3.39Å; R86-E89 VanDerWaalsContact CZ-OE2 3.28Å; R86-E89 IonicContact NE-OE1 2.63Å; R86-E89 IonicContact NE-OE2 3.45Å; R86-E89 PolarHBondContact NE-OE2 3.39Å; R86-E89 IonicContact NH2-OE2 3.8Å; R86-E89 PolarHBondContact NH2-OE2 3.24Å; R86-E89 WeakPolarHBondContact O-CB 3.35Å; R86-E89 PolarHBondContact O-N 3.35Å; E89-W91 VanDerWaalsContact C-N 3.33Å; E89-W91 PolarHBondContact O-N 2.93Å; E89-N92 PolarHBondContact O-N 3.28Å; E89-E93 WeakPolarHBondContact O-CB 3.5Å; E89-E93 PolarHBondContact O-N 2.88Å
90	Y	97.1	Very high	94.5	Very high	22 Å²	22	61.1 Å²	61.1	9%	0.086	31%	0.307	C	S	.	.	H	α-helix	trans	-62.9	-39	179.3	-64.3	-59	0	0	0	112.6	Y83 R86 S88 F94 D302 G303	Y83-Y90 HydrophobicContact CD1-CD2 4.42Å; Y83-Y90 AromaticContact CD1-CE2 3.58Å; Y83-Y90 HydrophobicContact CD1-CE2 3.58Å; Y83-Y90 AromaticContact CD1-CZ 3.77Å; Y83-Y90 HydrophobicContact CE1-CE2 4.14Å; Y83-Y90 AromaticContact CE1-CZ 3.85Å; R86-Y90 HydrophobicContact CB-CD2 4.33Å; R86-Y90 HydrophobicContact CB-CE2 3.76Å; R86-Y90 WeakPolarHBondContact O-CD2 3.01Å; R86-Y90 PolarHBondContact O-N 3.38Å; S88-Y90 PolarHBondContact O-N 3.07Å; Y90-F94 VanDerWaalsContact O-CB 3.28Å; Y90-F94 WeakPolarHBondContact O-CB 3.42Å; Y90-F94 PolarHBondContact O-N 3.26Å; Y90-D302 WeakPolarHBondContact CD1-O 3.1Å; Y90-G303 WeakPolarHBondContact CD2-O 3.17Å
91	W	96.7	Very high	94	Very high	35 Å²	35	68 Å²	68	13%	0.133	33%	0.331	C	S	.	.	H	α-helix	trans	-69.7	-41.1	174.5	-79.8	114	0	0	0	112.2	A87 S88 E89 E93 F94 Y95 A249 T304	A87-W91 PolarHBondContact O-N 3.08Å; S88-W91 PolarHBondContact O-N 3.49Å; E89-W91 VanDerWaalsContact C-N 3.33Å; E89-W91 PolarHBondContact O-N 2.93Å; W91-E93 PolarHBondContact O-N 3.34Å; W91-F94 HydrophobicContact CE3-CB 4.42Å; W91-F94 HydrophobicContact CE3-CD1 4.12Å; W91-F94 HydrophobicContact CE3-CG 4.32Å; W91-F94 HydrophobicContact CZ3-CD1 4.07Å; W91-F94 HydrophobicContact CZ3-CE1 4.32Å; W91-F94 HydrophobicContact CZ3-CG 4.4Å; W91-F94 WeakPolarHBondContact O-CB 3.44Å; W91-F94 PolarHBondContact O-N 2.74Å; W91-Y95 HydrophobicContact CE3-CD2 4.42Å; W91-Y95 AromaticContact CE3-CE2 3.75Å; W91-Y95 HydrophobicContact CE3-CE2 3.75Å; W91-Y95 HydrophobicContact CZ3-CE2 4.38Å; W91-Y95 WeakPolarHBondContact O-CD2 3.44Å; W91-Y95 PolarHBondContact O-N 2.9Å; W91-A249 HydrophobicContact CZ2-CB 3.85Å; W91-T304 HydrophobicContact CD2-CG2 3.83Å; W91-T304 HydrophobicContact CE3-CG2 3.94Å; W91-T304 HydrophobicContact CG-CG2 4.36Å; W91-T304 HydrophobicContact CH2-CG2 4.31Å; W91-T304 HydrophobicContact CZ2-CG2 4.21Å; W91-T304 HydrophobicContact CZ3-CG2 4.17Å
92	N	95.4	Very high	93.5	Very high	40 Å²	40	66.4 Å²	66.4	21%	0.214	32%	0.323	C	S	.	.	H	α-helix	trans	-59.7	-44.6	174.5	-75.8	-18.6	0	0	0	112.1	S88 E89 Y95 T96 S199 S200	S88-N92 WeakPolarHBondContact O-CB 3.37Å; S88-N92 PolarHBondContact O-N 3.04Å; E89-N92 PolarHBondContact O-N 3.28Å; N92-Y95 PolarHBondContact O-N 3.32Å; N92-T96 WeakPolarHBondContact O-CB 3.37Å; N92-T96 PolarHBondContact O-N 3.13Å; N92-T96 PolarHBondContact O-OG1 3.45Å; N92-S199 WeakPolarHBondContact OD1-CA 3.28Å; N92-S199 VanDerWaalsContact OD1-CB 3.25Å; N92-S199 WeakPolarHBondContact OD1-CB 3.47Å; N92-S199 PolarHBondContact OD1-OG 3.27Å; N92-S200 PolarHBondContact OD1-N 3.23Å
93	E	96.3	Very high	92.8	Very high	111 Å²	111	66.2 Å²	66.2	52%	0.519	32%	0.321	S	S	.	.	H	α-helix	trans	-63.1	-45.7	176	-175.6	175.1	-175.3	0	0	111	E89 W91 Y95 T96 I97	E89-E93 WeakPolarHBondContact O-CB 3.5Å; E89-E93 PolarHBondContact O-N 2.88Å; W91-E93 PolarHBondContact O-N 3.34Å; E93-Y95 PolarHBondContact O-N 3.39Å; E93-T96 WeakPolarHBondContact O-CB 3.44Å; E93-T96 PolarHBondContact O-N 2.91Å; E93-T96 VanDerWaalsContact O-N 3.14Å; E93-I97 HydrophobicContact CG-CD1 3.77Å; E93-I97 HydrophobicContact CG-CG1 4.45Å; E93-I97 WeakPolarHBondContact O-CG1 3.49Å; E93-I97 PolarHBondContact O-N 3.45Å
94	F	96.3	Very high	92	Very high	8 Å²	8	73 Å²	73	4%	0.035	35%	0.351	C	S	.	.	H	α-helix	trans	-53.5	-51.3	176.2	178.3	-85.6	0	0	0	111.9	Y90 W91 T96 I97 H98 F102 F103 D302 T304	Y90-F94 VanDerWaalsContact O-CB 3.28Å; Y90-F94 WeakPolarHBondContact O-CB 3.42Å; Y90-F94 PolarHBondContact O-N 3.26Å; W91-F94 HydrophobicContact CE3-CB 4.42Å; W91-F94 HydrophobicContact CE3-CD1 4.12Å; W91-F94 HydrophobicContact CE3-CG 4.32Å; W91-F94 HydrophobicContact CZ3-CD1 4.07Å; W91-F94 HydrophobicContact CZ3-CE1 4.32Å; W91-F94 HydrophobicContact CZ3-CG 4.4Å; W91-F94 WeakPolarHBondContact O-CB 3.44Å; W91-F94 PolarHBondContact O-N 2.74Å; F94-T96 VanDerWaalsContact C-N 3.33Å; F94-T96 PolarHBondContact O-N 3.07Å; F94-I97 PolarHBondContact O-N 3.3Å; F94-H98 AromaticContact CD2-CD2 3.48Å; F94-H98 VanDerWaalsContact CD2-CD2 3.48Å; F94-H98 WeakPolarHBondContact CD2-CD2 3.36Å; F94-H98 AromaticContact CD2-NE2 3.96Å; F94-H98 HydrophobicContact CE1-CB 4.47Å; F94-H98 AromaticContact CE2-CD2 3.37Å; F94-H98 WeakPolarHBondContact CE2-CD2 3.48Å; F94-H98 AromaticContact CE2-NE2 3.77Å; F94-H98 AromaticContact CG-CD2 3.88Å; F94-H98 AromaticContact CZ-CD2 3.68Å; F94-H98 WeakPolarHBondContact O-CB 3.44Å; F94-H98 PolarHBondContact O-CD2 3.25Å; F94-H98 VanDerWaalsContact O-CD2 3.25Å; F94-H98 PolarHBondContact O-N 3.05Å; F94-F102 HydrophobicContact CE1-CD1 4.31Å; F94-F102 HydrophobicContact CE1-CG 4.4Å; F94-F102 HydrophobicContact CE2-CD1 4.49Å; F94-F102 HydrophobicContact CE2-CD2 4.16Å; F94-F102 HydrophobicContact CE2-CE1 4.29Å; F94-F102 AromaticContact CE2-CE2 3.95Å; F94-F102 HydrophobicContact CE2-CE2 3.95Å; F94-F102 HydrophobicContact CE2-CG 4.42Å; F94-F102 HydrophobicContact CE2-CZ 4.02Å; F94-F102 HydrophobicContact CZ-CB 4.32Å; F94-F102 AromaticContact CZ-CD1 3.54Å; F94-F102 HydrophobicContact CZ-CD1 3.54Å; F94-F102 AromaticContact CZ-CD2 3.81Å; F94-F102 HydrophobicContact CZ-CD2 3.81Å; F94-F102 AromaticContact CZ-CE1 3.65Å; F94-F102 HydrophobicContact CZ-CE1 3.65Å; F94-F102 AromaticContact CZ-CE2 3.91Å; F94-F102 HydrophobicContact CZ-CE2 3.91Å; F94-F102 AromaticContact CZ-CG 3.63Å; F94-F102 HydrophobicContact CZ-CG 3.63Å; F94-F102 AromaticContact CZ-CZ 3.83Å; F94-F102 HydrophobicContact CZ-CZ 3.83Å; F94-F103 AromaticContact CE1-CE2 3.74Å; F94-F103 HydrophobicContact CE1-CE2 3.74Å; F94-F103 AromaticContact CE1-CZ 3.84Å; F94-F103 HydrophobicContact CE1-CZ 3.84Å; F94-F103 HydrophobicContact CZ-CE2 4.31Å; F94-F103 HydrophobicContact CZ-CZ 4.1Å; F94-D302 WeakPolarHBondContact CD2-OD2 3.41Å; F94-T304 HydrophobicContact CB-CG2 4.26Å; F94-T304 HydrophobicContact CD2-CG2 4.44Å
95	Y	96	Very high	91.5	Very high	10 Å²	10	75.7 Å²	75.7	4%	0.039	37%	0.366	C	S	.	.	H	α-helix	trans	-69.9	-29.4	179.8	-73.5	-66.9	0	0	0	113.1	W91 N92 E93 E99 F103 G174 V175 S199 A202	W91-Y95 HydrophobicContact CE3-CD2 4.42Å; W91-Y95 AromaticContact CE3-CE2 3.75Å; W91-Y95 HydrophobicContact CE3-CE2 3.75Å; W91-Y95 HydrophobicContact CZ3-CE2 4.38Å; W91-Y95 WeakPolarHBondContact O-CD2 3.44Å; W91-Y95 PolarHBondContact O-N 2.9Å; N92-Y95 PolarHBondContact O-N 3.32Å; E93-Y95 PolarHBondContact O-N 3.39Å; Y95-E99 WeakPolarHBondContact O-CA 3.28Å; Y95-E99 PolarHBondContact O-N 3.43Å; Y95-F103 AromaticContact CE1-CE2 3.78Å; Y95-F103 HydrophobicContact CE1-CE2 3.78Å; Y95-G174 WeakPolarHBondContact OH-CA 3.27Å; Y95-V175 HydrophobicContact CD1-CG1 3.89Å; Y95-V175 HydrophobicContact CE1-CG1 4.06Å; Y95-S199 WeakPolarHBondContact CD2-OG 3.24Å; Y95-A202 HydrophobicContact CD1-CB 4.18Å; Y95-A202 HydrophobicContact CD2-CB 3.67Å; Y95-A202 HydrophobicContact CE1-CB 4.17Å; Y95-A202 HydrophobicContact CE2-CB 3.66Å; Y95-A202 HydrophobicContact CG-CB 3.94Å
96	T	94.8	Very high	91.2	Very high	85 Å²	85	72.9 Å²	72.9	52%	0.521	34%	0.342	S	S	.	.	H	α-helix	trans	-65.8	-41.3	173.8	-57.5	0	0	0	0	111.4	N92 E93 F94	N92-T96 WeakPolarHBondContact O-CB 3.37Å; N92-T96 PolarHBondContact O-N 3.13Å; N92-T96 PolarHBondContact O-OG1 3.45Å; E93-T96 WeakPolarHBondContact O-CB 3.44Å; E93-T96 PolarHBondContact O-N 2.91Å; E93-T96 VanDerWaalsContact O-N 3.14Å; F94-T96 VanDerWaalsContact C-N 3.33Å; F94-T96 PolarHBondContact O-N 3.07Å
97	I	93.3	Very high	90.8	Very high	95 Å²	95	75.4 Å²	75.4	49%	0.487	36%	0.357	S	S	.	.	H	α-helix	trans	-75	-42.6	-179.2	-67.3	168.1	0	0	0	111.2	E93 F94	E93-I97 HydrophobicContact CG-CD1 3.77Å; E93-I97 HydrophobicContact CG-CG1 4.45Å; E93-I97 WeakPolarHBondContact O-CG1 3.49Å; E93-I97 PolarHBondContact O-N 3.45Å; F94-I97 PolarHBondContact O-N 3.3Å
98	H	91.7	Very high	90.4	Very high	58 Å²	58	77.6 Å²	77.6	27%	0.269	36%	0.364	S	S	.	.	H	α-helix	trans	-96.5	-25.8	-167.2	-71.9	-54.2	0	0	0	114.7	F94 N100 R101 F102	F94-H98 AromaticContact CD2-CD2 3.48Å; F94-H98 VanDerWaalsContact CD2-CD2 3.48Å; F94-H98 WeakPolarHBondContact CD2-CD2 3.36Å; F94-H98 AromaticContact CD2-NE2 3.96Å; F94-H98 HydrophobicContact CE1-CB 4.47Å; F94-H98 AromaticContact CE2-CD2 3.37Å; F94-H98 WeakPolarHBondContact CE2-CD2 3.48Å; F94-H98 AromaticContact CE2-NE2 3.77Å; F94-H98 AromaticContact CG-CD2 3.88Å; F94-H98 AromaticContact CZ-CD2 3.68Å; F94-H98 WeakPolarHBondContact O-CB 3.44Å; F94-H98 PolarHBondContact O-CD2 3.25Å; F94-H98 VanDerWaalsContact O-CD2 3.25Å; F94-H98 PolarHBondContact O-N 3.05Å; H98-N100 PolarHBondContact O-N 3.47Å; H98-R101 PolarHBondContact O-N 3.41Å; H98-F102 HydrophobicContact CB-CB 3.77Å; H98-F102 AromaticContact CE1-CD2 3.93Å; H98-F102 AromaticContact CG-CD2 3.89Å; H98-F102 AromaticContact ND1-CD2 3.81Å
99	E	91.4	Very high	90.3	Very high	84 Å²	84	75.9 Å²	75.9	39%	0.393	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.9	-131.8	-175.9	-58	166.9	177.8	0	0	110.5	Y95 R101 V175	Y95-E99 WeakPolarHBondContact O-CA 3.28Å; Y95-E99 PolarHBondContact O-N 3.43Å; E99-R101 VanDerWaalsContact C-N 3.35Å; E99-R101 PolarHBondContact O-N 3.19Å; E99-R101 IonicContact OE1-NH2 3.98Å; E99-R101 IonicContact OE2-CZ 3.63Å; E99-R101 IonicContact OE2-NE 3.8Å; E99-R101 IonicContact OE2-NH2 3.19Å; E99-R101 PolarHBondContact OE2-NH2 2.66Å; E99-V175 WeakPolarHBondContact O-CG1 3.38Å
100	N	84.8	Confident	90.1	Very high	112 Å²	112	74.2 Å²	74.2	60%	0.599	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	7.3	-180	68.6	-6.1	0	0	0	115	H98	H98-N100 PolarHBondContact O-N 3.47Å
101	R	85.9	Confident	89.7	Confident	177 Å²	177	75 Å²	75	67%	0.668	35%	0.351	S	S	*	.	S	Bend	trans	-97.2	-12.9	-166.3	-62.5	176.7	-74.5	-168.5	-8.3	114.9	H98 E99	H98-R101 PolarHBondContact O-N 3.41Å; E99-R101 VanDerWaalsContact C-N 3.35Å; E99-R101 PolarHBondContact O-N 3.19Å; E99-R101 IonicContact OE1-NH2 3.98Å; E99-R101 IonicContact OE2-CZ 3.63Å; E99-R101 IonicContact OE2-NE 3.8Å; E99-R101 IonicContact OE2-NH2 3.19Å; E99-R101 PolarHBondContact OE2-NH2 2.66Å
102	F	85.1	Confident	89.2	Confident	95 Å²	95	73.7 Å²	73.7	42%	0.417	35%	0.346	S	S	.	.	S	Bend	trans	-85.5	-47.2	-172.3	-177.7	-83.6	0	0	0	113.4	F94 H98	F94-F102 HydrophobicContact CE1-CD1 4.31Å; F94-F102 HydrophobicContact CE1-CG 4.4Å; F94-F102 HydrophobicContact CE2-CD1 4.49Å; F94-F102 HydrophobicContact CE2-CD2 4.16Å; F94-F102 HydrophobicContact CE2-CE1 4.29Å; F94-F102 AromaticContact CE2-CE2 3.95Å; F94-F102 HydrophobicContact CE2-CE2 3.95Å; F94-F102 HydrophobicContact CE2-CG 4.42Å; F94-F102 HydrophobicContact CE2-CZ 4.02Å; F94-F102 HydrophobicContact CZ-CB 4.32Å; F94-F102 AromaticContact CZ-CD1 3.54Å; F94-F102 HydrophobicContact CZ-CD1 3.54Å; F94-F102 AromaticContact CZ-CD2 3.81Å; F94-F102 HydrophobicContact CZ-CD2 3.81Å; F94-F102 AromaticContact CZ-CE1 3.65Å; F94-F102 HydrophobicContact CZ-CE1 3.65Å; F94-F102 AromaticContact CZ-CE2 3.91Å; F94-F102 HydrophobicContact CZ-CE2 3.91Å; F94-F102 AromaticContact CZ-CG 3.63Å; F94-F102 HydrophobicContact CZ-CG 3.63Å; F94-F102 AromaticContact CZ-CZ 3.83Å; F94-F102 HydrophobicContact CZ-CZ 3.83Å; H98-F102 HydrophobicContact CB-CB 3.77Å; H98-F102 AromaticContact CE1-CD2 3.93Å; H98-F102 AromaticContact CG-CD2 3.89Å; H98-F102 AromaticContact ND1-CD2 3.81Å
103	F	81.2	Confident	89.1	Confident	53 Å²	53	71.9 Å²	71.9	23%	0.232	34%	0.336	C	S	.	.	S	Bend	trans	-84.6	141.3	-175.8	-65	-69.5	0	0	0	110.8	F94 Y95 N177	F94-F103 AromaticContact CE1-CE2 3.74Å; F94-F103 HydrophobicContact CE1-CE2 3.74Å; F94-F103 AromaticContact CE1-CZ 3.84Å; F94-F103 HydrophobicContact CE1-CZ 3.84Å; F94-F103 HydrophobicContact CZ-CE2 4.31Å; F94-F103 HydrophobicContact CZ-CZ 4.1Å; Y95-F103 AromaticContact CE1-CE2 3.78Å; Y95-F103 HydrophobicContact CE1-CE2 3.78Å; F103-N177 VanDerWaalsContact CB-ND2 3.26Å; F103-N177 WeakPolarHBondContact CB-ND2 3.45Å
104	K	80.8	Confident	88.9	Confident	182 Å²	182	69.7 Å²	69.7	79%	0.791	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-87.1	154	177.6	-60.3	-175.7	-179.6	-176.1	0	111.2	R106	K104-R106 PolarHBondContact O-N 2.75Å; K104-R106 PolarHBondContact O-NH1 2.88Å
105	D	82.5	Confident	88.8	Confident	107 Å²	107	71.1 Å²	71.1	57%	0.572	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-55.2	132.8	169.7	-62.9	-17	0	0	0	112.2	H107	D105-H107 VanDerWaalsContact C-N 3.29Å; D105-H107 WeakPolarHBondContact CB-CE1 3.42Å; D105-H107 WeakPolarHBondContact CB-ND1 3.5Å; D105-H107 PolarHBondContact O-N 3.27Å; D105-H107 PolarHBondContact O-ND1 3.01Å; D105-H107 IonicContact OD2-CE1 2.9Å
106	R	87.9	Confident	88.7	Confident	31 Å²	31	70.7 Å²	70.7	12%	0.117	34%	0.337	C	S	.	.			trans	-87.1	62.6	-176.7	-54.9	-176.9	-174.2	4	0.2	111.5	K104 W108 L109 N177 T178	K104-R106 PolarHBondContact O-N 2.75Å; K104-R106 PolarHBondContact O-NH1 2.88Å; R106-W108 HydrophobicContact CB-CZ2 4.27Å; R106-W108 HydrophobicContact CG-CZ2 4.19Å; R106-W108 PolarHBondContact O-N 3.21Å; R106-L109 HydrophobicContact CB-CB 4.06Å; R106-L109 WeakPolarHBondContact O-CB 3.41Å; R106-L109 PolarHBondContact O-N 3.29Å; R106-N177 WeakPolarHBondContact CD-O 3.48Å; R106-N177 WeakPolarHBondContact CG-O 3.26Å; R106-N177 VanDerWaalsContact CZ-CB 3.44Å; R106-T178 WeakPolarHBondContact CD-OG1 3.35Å; R106-T178 PolarHBondContact NE-OG1 3.39Å
107	H	85.1	Confident	88.4	Confident	145 Å²	145	67.9 Å²	67.9	67%	0.671	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-16.6	178.8	-67	89.1	0	0	0	114.7	D105	D105-H107 VanDerWaalsContact C-N 3.29Å; D105-H107 WeakPolarHBondContact CB-CE1 3.42Å; D105-H107 WeakPolarHBondContact CB-ND1 3.5Å; D105-H107 PolarHBondContact O-N 3.27Å; D105-H107 PolarHBondContact O-ND1 3.01Å; D105-H107 IonicContact OD2-CE1 2.9Å
108	W	87.3	Confident	87.9	Confident	51 Å²	51	66 Å²	66	19%	0.193	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-10.9	177	52.6	-97.2	0	0	0	113.2	R106 F110 T111 E112 F113 I244 R275	R106-W108 HydrophobicContact CB-CZ2 4.27Å; R106-W108 HydrophobicContact CG-CZ2 4.19Å; R106-W108 PolarHBondContact O-N 3.21Å; W108-F110 PolarHBondContact O-N 2.81Å; W108-T111 WeakPolarHBondContact O-CB 3.43Å; W108-T111 PolarHBondContact O-N 2.83Å; W108-E112 HydrophobicContact CB-CG 4.31Å; W108-E112 HydrophobicContact CE3-CB 3.89Å; W108-E112 VanDerWaalsContact CE3-CD 3.47Å; W108-E112 HydrophobicContact CE3-CG 4.03Å; W108-E112 HydrophobicContact CZ3-CB 4.4Å; W108-E112 WeakPolarHBondContact CZ3-OE2 3.41Å; W108-E112 PolarHBondContact O-N 2.87Å; W108-F113 HydrophobicContact CH2-CE2 4.4Å; W108-F113 HydrophobicContact CZ3-CD2 4.03Å; W108-F113 AromaticContact CZ3-CE2 3.8Å; W108-F113 HydrophobicContact CZ3-CE2 3.8Å; W108-I244 HydrophobicContact CH2-CD1 3.93Å; W108-I244 HydrophobicContact CH2-CG1 4.32Å; W108-I244 HydrophobicContact CH2-CG2 4.07Å; W108-I244 HydrophobicContact CZ2-CG2 4.41Å; W108-I244 HydrophobicContact CZ3-CD1 4.48Å; W108-R275 VanDerWaalsContact CH2-CD 3.42Å
109	L	91.4	Very high	87	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-51.2	-58.1	-165.3	-177.3	63.9	0	0	0	113	R106 T111 E112 F113 L116 T178 P181 I182 I244	R106-L109 HydrophobicContact CB-CB 4.06Å; R106-L109 WeakPolarHBondContact O-CB 3.41Å; R106-L109 PolarHBondContact O-N 3.29Å; L109-T111 VanDerWaalsContact C-N 3.32Å; L109-T111 PolarHBondContact O-N 3.47Å; L109-E112 PolarHBondContact O-N 3.5Å; L109-F113 HydrophobicContact CD1-CD2 4.05Å; L109-F113 WeakPolarHBondContact O-CA 3.41Å; L109-F113 WeakPolarHBondContact O-CB 3.28Å; L109-F113 PolarHBondContact O-N 3.38Å; L109-L116 HydrophobicContact CD1-CD1 3.67Å; L109-L116 HydrophobicContact CD2-CD1 4.41Å; L109-L116 HydrophobicContact CG-CD1 3.99Å; L109-T178 HydrophobicContact CD1-CG2 3.6Å; L109-T178 HydrophobicContact CD2-CG2 3.57Å; L109-T178 HydrophobicContact CG-CG2 4.23Å; L109-P181 HydrophobicContact CD2-CB 4.13Å; L109-I182 HydrophobicContact CD2-CG1 4.17Å; L109-I244 HydrophobicContact CD1-CD1 3.89Å
110	F	92.3	Very high	85.3	Confident	56 Å²	56	75.1 Å²	75.1	25%	0.246	35%	0.35	C	S	.	.	H	α-helix	trans	-77.7	-16.8	-177.4	-55.8	-67.3	0	0	0	114.1	W108 P114 L116 A117 P181 I182 T185	W108-F110 PolarHBondContact O-N 2.81Å; F110-P114 WeakPolarHBondContact O-CA 3.42Å; F110-L116 HydrophobicContact CD1-CB 4.05Å; F110-L116 HydrophobicContact CE1-CB 3.92Å; F110-A117 HydrophobicContact CD1-CB 3.97Å; F110-P181 HydrophobicContact CE2-CB 4.37Å; F110-P181 HydrophobicContact CZ-CB 4.41Å; F110-P181 WeakPolarHBondContact CZ-O 3.29Å; F110-I182 HydrophobicContact CE1-CG1 4.34Å; F110-I182 HydrophobicContact CZ-CG1 4.46Å; F110-T185 HydrophobicContact CD2-CG2 4.29Å; F110-T185 HydrophobicContact CE1-CG2 4.35Å; F110-T185 HydrophobicContact CE2-CG2 3.88Å; F110-T185 VanDerWaalsContact CE2-OG1 3.22Å; F110-T185 WeakPolarHBondContact CE2-OG1 3.49Å; F110-T185 HydrophobicContact CZ-CG2 3.92Å; F110-T185 WeakPolarHBondContact CZ-OG1 3.41Å
111	T	87	Confident	83.3	Confident	40 Å²	40	76.3 Å²	76.3	25%	0.245	36%	0.356	C	S	.	.	H	α-helix	trans	-72.2	-43	172.1	-57.8	0	0	0	0	109.9	R31 P32 W108 L109	R31-T111 HydrophobicContact CB-CG2 4.47Å; P32-T111 WeakPolarHBondContact O-CG2 3.17Å; W108-T111 WeakPolarHBondContact O-CB 3.43Å; W108-T111 PolarHBondContact O-N 2.83Å; L109-T111 VanDerWaalsContact C-N 3.32Å; L109-T111 PolarHBondContact O-N 3.47Å
112	E	87.4	Confident	81.1	Confident	6 Å²	6	75.7 Å²	75.7	3%	0.028	37%	0.365	C	S	.	.	H	α-helix	trans	-87.1	-31.3	-176.2	-72.1	-171.2	-169.7	0	0	112.8	W108 L109 R275 R333 Q350	W108-E112 HydrophobicContact CB-CG 4.31Å; W108-E112 HydrophobicContact CE3-CB 3.89Å; W108-E112 VanDerWaalsContact CE3-CD 3.47Å; W108-E112 HydrophobicContact CE3-CG 4.03Å; W108-E112 HydrophobicContact CZ3-CB 4.4Å; W108-E112 WeakPolarHBondContact CZ3-OE2 3.41Å; W108-E112 PolarHBondContact O-N 2.87Å; L109-E112 PolarHBondContact O-N 3.5Å; E112-R275 IonicContact OE1-CZ 3.19Å; E112-R275 IonicContact OE1-NH1 3.73Å; E112-R275 PolarHBondContact OE1-NH1 3.29Å; E112-R275 VanDerWaalsContact OE1-NH1 3.13Å; E112-R275 IonicContact OE2-CZ 2.92Å; E112-R275 IonicContact OE2-NE 3.76Å; E112-R275 IonicContact OE2-NH1 3.61Å; E112-R275 PolarHBondContact OE2-NH1 3.46Å; E112-R333 IonicContact OE1-NH2 3.79Å; E112-R333 PolarHBondContact OE1-NH2 3.32Å; E112-Q350 PolarHBondContact O-NE2 2.74Å
113	F	93.2	Very high	78.8	Confident	3 Å²	3	78.1 Å²	78.1	1%	0.013	38%	0.382	C	S	.	.			trans	-128.4	73.5	-179.7	-61.7	-46	0	0	0	111.1	W108 L109 E115 L116 I244 L273 R275 Q350	W108-F113 HydrophobicContact CH2-CE2 4.4Å; W108-F113 HydrophobicContact CZ3-CD2 4.03Å; W108-F113 AromaticContact CZ3-CE2 3.8Å; W108-F113 HydrophobicContact CZ3-CE2 3.8Å; L109-F113 HydrophobicContact CD1-CD2 4.05Å; L109-F113 WeakPolarHBondContact O-CA 3.41Å; L109-F113 WeakPolarHBondContact O-CB 3.28Å; L109-F113 PolarHBondContact O-N 3.38Å; F113-E115 WeakPolarHBondContact CA-OE2 3.46Å; F113-E115 PolarHBondContact O-N 3.15Å; F113-L116 HydrophobicContact CB-CD1 3.69Å; F113-L116 HydrophobicContact CB-CG 4.01Å; F113-L116 HydrophobicContact CD2-CD1 4.37Å; F113-L116 HydrophobicContact CG-CD1 4.42Å; F113-L116 PolarHBondContact O-N 3.46Å; F113-I244 HydrophobicContact CD2-CD1 4.42Å; F113-I244 HydrophobicContact CE2-CD1 4.1Å; F113-I244 HydrophobicContact CE2-CG1 4.16Å; F113-L273 HydrophobicContact CB-CD1 3.89Å; F113-L273 HydrophobicContact CD1-CB 3.94Å; F113-L273 HydrophobicContact CD1-CD1 3.89Å; F113-L273 HydrophobicContact CD1-CD2 4.17Å; F113-L273 HydrophobicContact CD1-CG 4.22Å; F113-L273 HydrophobicContact CE1-CB 3.85Å; F113-L273 HydrophobicContact CG-CB 4.41Å; F113-L273 HydrophobicContact CG-CD1 3.95Å; F113-L273 HydrophobicContact CZ-CB 4.26Å; F113-R275 HydrophobicContact CE2-CB 4.18Å; F113-R275 HydrophobicContact CZ-CB 3.98Å; F113-Q350 HydrophobicContact CE1-CG 3.83Å; F113-Q350 HydrophobicContact CZ-CG 3.88Å
114	P	92.4	Very high	76.7	Confident	65 Å²	65	83.7 Å²	83.7	42%	0.422	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-63.6	-18.9	-178.5	26.5	-35.7	0	0	0	113.9	F110 L116 A117	F110-P114 WeakPolarHBondContact O-CA 3.42Å; P114-L116 PolarHBondContact O-N 2.81Å; P114-A117 VanDerWaalsContact O-CB 3.31Å; P114-A117 WeakPolarHBondContact O-CB 3.17Å; P114-A117 PolarHBondContact O-N 2.69Å
115	E	92.9	Very high	74.5	Confident	38 Å²	38	84.1 Å²	84.1	18%	0.178	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-65.1	-16.1	177.4	-57	79.2	-175.8	0	0	113.2	F113 Y166 V240 V271 L273 K352	F113-E115 WeakPolarHBondContact CA-OE2 3.46Å; F113-E115 PolarHBondContact O-N 3.15Å; E115-Y166 PolarHBondContact O-OH 2.94Å; E115-V240 HydrophobicContact CB-CG2 4.42Å; E115-V271 HydrophobicContact CG-CG2 4.32Å; E115-L273 HydrophobicContact CB-CD1 4.35Å; E115-K352 WeakPolarHBondContact OE1-CE 3.27Å; E115-K352 IonicContact OE1-NZ 3.32Å; E115-K352 PolarHBondContact OE1-NZ 2.92Å
116	L	93.5	Very high	72.2	Confident	0 Å²	0	83.7 Å²	83.7	0%	0	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-87.2	-16.4	176.3	-54.8	179.2	0	0	0	112.4	L109 F110 F113 P114 I168 I182 V240 V242 L273	L109-L116 HydrophobicContact CD1-CD1 3.67Å; L109-L116 HydrophobicContact CD2-CD1 4.41Å; L109-L116 HydrophobicContact CG-CD1 3.99Å; F110-L116 HydrophobicContact CD1-CB 4.05Å; F110-L116 HydrophobicContact CE1-CB 3.92Å; F113-L116 HydrophobicContact CB-CD1 3.69Å; F113-L116 HydrophobicContact CB-CG 4.01Å; F113-L116 HydrophobicContact CD2-CD1 4.37Å; F113-L116 HydrophobicContact CG-CD1 4.42Å; F113-L116 PolarHBondContact O-N 3.46Å; P114-L116 PolarHBondContact O-N 2.81Å; L116-I168 HydrophobicContact CD2-CD1 3.99Å; L116-I168 HydrophobicContact CD2-CG2 4.17Å; L116-I182 HydrophobicContact CB-CD1 4.41Å; L116-I182 HydrophobicContact CB-CG1 4.25Å; L116-I182 HydrophobicContact CD1-CD1 4.19Å; L116-I182 HydrophobicContact CD2-CD1 4.22Å; L116-V240 HydrophobicContact CD2-CG1 3.82Å; L116-V242 HydrophobicContact CD1-CG2 4.17Å; L116-V242 HydrophobicContact CD2-CG2 3.59Å; L116-V242 HydrophobicContact CG-CG2 4.48Å; L116-L273 HydrophobicContact CD2-CD1 4.12Å; L116-L273 HydrophobicContact CG-CD1 4.16Å
117	A	89.1	Confident	69.4	Low	26 Å²	26	90.3 Å²	90.3	22%	0.215	45%	0.451	C	S	.	.	S	Bend	trans	-75.6	157.6	175.9	0	0	0	0	0	110.3	F110 P114 Q119	F110-A117 HydrophobicContact CD1-CB 3.97Å; P114-A117 VanDerWaalsContact O-CB 3.31Å; P114-A117 WeakPolarHBondContact O-CB 3.17Å; P114-A117 PolarHBondContact O-N 2.69Å; A117-Q119 PolarHBondContact O-N 2.88Å
118	P	83.6	Confident	67.1	Low	57 Å²	57	89 Å²	89	37%	0.37	46%	0.456	S	S	.	.			trans	-54.9	125.6	174.7	16.1	-25.5	0	0	0	110.8	R120 N186	P118-R120 PolarHBondContact O-N 2.85Å; P118-R120 VanDerWaalsContact O-N 3.11Å; P118-N186 HydrophobicContact CB-CB 4.2Å; P118-N186 HydrophobicContact CG-CB 4.33Å
119	Q	72.1	Confident	64.5	Low	116 Å²	116	93.8 Å²	93.8	54%	0.542	49%	0.485	S	S	.	.			trans	-65.5	114.3	176.2	-64	-159.5	-4.3	0	0	108.1	A117 N121 Y166	A117-Q119 PolarHBondContact O-N 2.88Å; Q119-N121 PolarHBondContact O-N 2.85Å; Q119-N121 VanDerWaalsContact O-N 3.15Å; Q119-Y166 PolarHBondContact NE2-OH 3.39Å
120	R	56.5	Low	61.8	Low	217 Å²	217	101.5 Å²	101.5	82%	0.819	53%	0.526	S	S	*	.			trans	-66.7	114.7	163.7	-70	-174.8	177.5	-168.9	-2.9	105.6	P118 L122	P118-R120 PolarHBondContact O-N 2.85Å; P118-R120 VanDerWaalsContact O-N 3.11Å; R120-L122 PolarHBondContact O-N 3.24Å
121	N	42	Very low	59	Low	137 Å²	137	104.2 Å²	104.2	73%	0.733	55%	0.552	S	S	*	*			trans	-46.7	101.3	172.6	-74.7	-45.9	0	0	0	109.6	Q119 N123	Q119-N121 PolarHBondContact O-N 2.85Å; Q119-N121 VanDerWaalsContact O-N 3.15Å; N121-N123 PolarHBondContact O-N 2.96Å; N121-N123 VanDerWaalsContact O-N 3.14Å
122	L	39.3	Very low	56.4	Low	163 Å²	163	107.1 Å²	107.1	85%	0.853	58%	0.58	S	S	*	*			trans	-81.3	30	169.7	-74.4	171.8	0	0	0	110.5	R120	R120-L122 PolarHBondContact O-N 3.24Å
123	N	36.5	Very low	53.9	Low	146 Å²	146	113.9 Å²	113.9	78%	0.781	62%	0.621	S	S	*	*			trans	-113.3	45.9	-179.8	-71.8	-6.8	0	0	0	111.3	N121	N121-N123 PolarHBondContact O-N 2.96Å; N121-N123 VanDerWaalsContact O-N 3.14Å
124	H	37.3	Very low	50.9	Low	170 Å²	170	120.4 Å²	120.4	79%	0.787	66%	0.656	S	S	*	*			trans	-139	52.1	163.3	-124.4	-48.4	0	0	0	111.3	S126	H124-S126 VanDerWaalsContact C-N 3.32Å; H124-S126 PolarHBondContact O-N 2.93Å; H124-S126 VanDerWaalsContact O-N 3.13Å
125	E	35.1	Very low	48	Very low	191 Å²	191	121.5 Å²	121.5	89%	0.893	67%	0.666	S	S	*	*			trans	-67.4	104	145.3	-76.4	-158.2	155	0	0	107	Q127	E125-Q127 PolarHBondContact O-N 2.91Å; E125-Q127 VanDerWaalsContact O-N 3.08Å
126	S	34.3	Very low	45	Very low	98 Å²	98	124 Å²	124	69%	0.685	69%	0.687	S	S	*	*			trans	-69.1	98.5	174.7	33	0	0	0	0	108.8	H124	H124-S126 VanDerWaalsContact C-N 3.32Å; H124-S126 PolarHBondContact O-N 2.93Å; H124-S126 VanDerWaalsContact O-N 3.13Å
127	Q	29.2	Very low	42	Very low	170 Å²	170	132.3 Å²	132.3	79%	0.794	73%	0.726	S	S	*	*			trans	-76.7	125.3	153.3	-74.3	-159.5	-11.1	0	0	108.5	E125 N129	E125-Q127 PolarHBondContact O-N 2.91Å; E125-Q127 VanDerWaalsContact O-N 3.08Å; Q127-N129 PolarHBondContact O-N 2.81Å
128	P	37.2	Very low	39.2	Very low	118 Å²	118	138.6 Å²	138.6	77%	0.766	75%	0.751	S	S	*	*			trans	-80.7	115.7	177.3	31.7	-27.6	0	0	0	107.6
129	N	32.3	Very low	36.7	Very low	152 Å²	152	143.3 Å²	143.3	81%	0.813	77%	0.773	S	S	*	*			trans	-132.2	108.8	162.5	-93.8	-23.4	0	0	0	111.1	Q127	Q127-N129 PolarHBondContact O-N 2.81Å
130	N	35.1	Very low	34.5	Very low	163 Å²	163	141 Å²	141	87%	0.872	78%	0.78	S	S	*	*			trans	-51	127.2	156.6	-74.2	-31.9	0	0	0	110.3
131	S	33.3	Very low	32.9	Very low	113 Å²	113	136 Å²	136	79%	0.79	78%	0.777	S	S	*	*				-178.8	107.4	126	48.5	0	0	0	0	109.3
132	A	32.8	Very low	32.2	Very low	100 Å²	100	137.6 Å²	137.6	83%	0.826	78%	0.78	S	S	*	*			trans	-66.3	132.2	160.3	0	0	0	0	0	109.6
133	V	33.4	Very low	31.9	Very low	148 Å²	148	137.6 Å²	137.6	90%	0.897	78%	0.776	S	S	*	*			trans	-146.2	138.4	137.7	-173.5	0	0	0	0	108.6
134	D	30.6	Very low	31.7	Very low	140 Å²	140	139.2 Å²	139.2	75%	0.749	78%	0.776	S	S	*	*			trans	-85.2	166.6	-167.7	-177	23.3	0	0	0	114
135	S	32.5	Very low	31.3	Very low	89 Å²	89	139.4 Å²	139.4	62%	0.622	78%	0.777	S	S	*	*			trans	113.5	100.9	138.1	72.5	0	0	0	0	120.2
136	S	28.8	Very low	30.9	Very low	90 Å²	90	135 Å²	135	63%	0.629	77%	0.766	S	S	*	*				48.3	123	125.8	62.2	0	0	0	0	122
137	H	31.3	Very low	30.7	Very low	174 Å²	174	140.6 Å²	140.6	81%	0.806	77%	0.773	S	S	*	*				179.9	156.3	96.3	-99.1	-68	0	0	0	114
138	Q	31.1	Very low	30.8	Very low	158 Å²	158	138.7 Å²	138.7	74%	0.738	77%	0.768	S	S	*	*			trans	-64.4	152.7	-176.2	-74.3	154.8	-44.9	0	0	115.8
139	D	29.3	Very low	30.5	Very low	156 Å²	156	142.7 Å²	142.7	83%	0.834	77%	0.773	S	S	*	*				152.5	133.7	99.4	-112.4	-15.9	0	0	0	114.7
140	G	26.3	Very low	30.4	Very low	68 Å²	68	139.5 Å²	139.5	70%	0.701	77%	0.768	S	S	*	*				61.1	107	126.8	0	0	0	0	0	124.2
141	C	24.1	Very low	30.5	Very low	111 Å²	111	136.1 Å²	136.1	75%	0.75	76%	0.763	S	S	*	*				77.1	118.7	121.4	-139	0	0	0	0	123.6
142	E	27.5	Very low	30.7	Very low	171 Å²	171	139 Å²	139	80%	0.799	77%	0.768	S	S	*	*			trans	60.6	109.5	134.7	-70.7	177.7	177.3	0	0	124.9
143	Q	31.7	Very low	31.1	Very low	163 Å²	163	140 Å²	140	76%	0.762	77%	0.77	S	S	*	*				50.2	132.7	121.4	-82.6	-177.3	12	0	0	124.8
144	K	32.1	Very low	31.3	Very low	180 Å²	180	136.7 Å²	136.7	78%	0.783	77%	0.765	S	S	*	*			trans	78.3	130.7	154.1	-70.5	174.3	-179.9	176.7	0	115.2
145	Q	30.3	Very low	32	Very low	174 Å²	174	137.4 Å²	137.4	81%	0.813	77%	0.769	S	S	*	*			cis	-168.9	147.8	36.2	-129.2	173.6	17.1	0	0	113
146	C	26.1	Very low	33.1	Very low	98 Å²	98	141.4 Å²	141.4	66%	0.662	78%	0.783	S	S	*	*			trans	53.5	123.9	139.6	-77.7	0	0	0	0	125.7
147	R	30.2	Very low	34.5	Very low	217 Å²	217	141.7 Å²	141.7	82%	0.819	79%	0.785	S	S	*	*			trans	76.4	143.1	138.1	-65.6	-179.3	-171.1	169.4	0.1	117.8
148	D	30	Very low	37.1	Very low	129 Å²	129	137.9 Å²	137.9	69%	0.69	78%	0.783	S	S	*	*			cis	-166.6	137.7	-10.6	-92.8	-33	0	0	0	104.2
149	F	30.9	Very low	40	Very low	202 Å²	202	132.4 Å²	132.4	89%	0.886	76%	0.757	S	S	*	*				167.8	123.2	126.1	-111.9	-97.6	0	0	0	112.9
150	A	30.3	Very low	43.2	Very low	85 Å²	85	127.3 Å²	127.3	70%	0.702	73%	0.733	S	S	*	*			trans	64	100.1	152.4	0	0	0	0	0	118.4
151	A	37	Very low	46.4	Very low	93 Å²	93	124.7 Å²	124.7	77%	0.769	71%	0.705	S	S	*	*				91.5	137.6	76.9	0	0	0	0	0	112.5
152	L	39	Very low	49.8	Very low	172 Å²	172	121.8 Å²	121.8	90%	0.901	69%	0.686	S	S	*	*	S	Bend	trans	97.5	80.8	-172.4	-53.8	167.4	0	0	0	112.2
153	S	41.4	Very low	53	Low	123 Å²	123	119.2 Å²	119.2	86%	0.86	69%	0.687	S	S	*	*				-170.9	121.8	65.2	-52.1	0	0	0	0	107.9
154	G	37.3	Very low	56.1	Low	77 Å²	77	111.9 Å²	111.9	79%	0.794	66%	0.655	S	S	*	*			trans	-83.4	148.4	-166.1	0	0	0	0	0	116
155	D	45	Very low	59.1	Low	156 Å²	156	108.2 Å²	108.2	83%	0.834	65%	0.647	S	S	*	*			trans	71.6	90.4	158.4	-66.8	-7.9	0	0	0	120	C157	D155-C157 PolarHBondContact O-N 2.87Å
156	N	55.4	Low	62.3	Low	172 Å²	172	101.5 Å²	101.5	92%	0.92	62%	0.615	S	S	*	*			trans	-56.9	85.5	141	-90.1	-22.5	0	0	0	108.6	A158	N156-A158 PolarHBondContact O-N 3.17Å
157	C	58.9	Low	65.8	Low	97 Å²	97	98.1 Å²	98.1	66%	0.655	59%	0.588	S	S	*	*			trans	-63.9	103.7	169.6	-160.1	0	0	0	0	107.3	D155 F159	D155-C157 PolarHBondContact O-N 2.87Å; C157-F159 WeakPolarHBondContact O-CD1 3.49Å; C157-F159 PolarHBondContact O-N 3.39Å
158	A	84.7	Confident	69	Low	94 Å²	94	87.8 Å²	87.8	78%	0.777	55%	0.549	S	S	*	.			trans	-72.5	94.6	180	0	0	0	0	0	109.2	N156	N156-A158 PolarHBondContact O-N 3.17Å
159	F	92.9	Very high	72.3	Confident	43 Å²	43	81.6 Å²	81.6	19%	0.189	52%	0.516	C	S	.	.			trans	-97.3	157.4	168.7	60	-89.6	0	0	0	110.4	C157 G161 S162 Y194 P234	C157-F159 WeakPolarHBondContact O-CD1 3.49Å; C157-F159 PolarHBondContact O-N 3.39Å; F159-G161 PolarHBondContact O-N 3.3Å; F159-S162 WeakPolarHBondContact O-CB 3.3Å; F159-S162 PolarHBondContact O-N 2.88Å; F159-S162 PolarHBondContact O-OG 2.84Å; F159-Y194 VanDerWaalsContact CD2-OH 3.31Å; F159-Y194 WeakPolarHBondContact CD2-OH 3.13Å; F159-Y194 WeakPolarHBondContact CE2-OH 3.3Å; F159-P234 HydrophobicContact CD1-CG 3.54Å; F159-P234 HydrophobicContact CD2-CG 4.48Å; F159-P234 HydrophobicContact CE1-CG 3.46Å; F159-P234 VanDerWaalsContact CE1-CG 3.46Å; F159-P234 HydrophobicContact CE2-CG 4.39Å; F159-P234 HydrophobicContact CG-CG 4.1Å; F159-P234 HydrophobicContact CZ-CG 3.91Å
160	P	95.3	Very high	75.5	Confident	49 Å²	49	72 Å²	72	32%	0.318	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	131.4	177.4	-24.9	34.3	0	0	0	110.7	S162 F192 Y194 F218	P160-S162 VanDerWaalsContact C-N 3.26Å; P160-S162 PolarHBondContact O-N 3.36Å; P160-F192 HydrophobicContact CB-CE1 3.99Å; P160-F192 HydrophobicContact CB-CZ 3.74Å; P160-Y194 HydrophobicContact CB-CE1 4.31Å; P160-Y194 PolarHBondContact O-OH 2.98Å; P160-F218 HydrophobicContact CB-CB 4.19Å; P160-F218 HydrophobicContact CB-CD2 4.27Å; P160-F218 HydrophobicContact CB-CG 4.1Å; P160-F218 HydrophobicContact CG-CD1 4.32Å; P160-F218 HydrophobicContact CG-CD2 4.13Å; P160-F218 HydrophobicContact CG-CE1 4.46Å; P160-F218 HydrophobicContact CG-CE2 4.28Å; P160-F218 HydrophobicContact CG-CG 4.15Å; P160-F218 HydrophobicContact CG-CZ 4.44Å
161	G	95.3	Very high	78.8	Confident	12 Å²	12	68 Å²	68	12%	0.124	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	15.1	-179.7	0	0	0	0	0	115.7	F159 S163 A164 R167 F192	F159-G161 PolarHBondContact O-N 3.3Å; G161-S163 PolarHBondContact O-N 2.74Å; G161-A164 WeakPolarHBondContact O-CB 3.32Å; G161-A164 PolarHBondContact O-N 3.33Å; G161-R167 PolarHBondContact O-NE 3.14Å; G161-F192 VanDerWaalsContact CA-CG 3.44Å
162	S	95.2	Very high	81.7	Confident	51 Å²	51	64.3 Å²	64.3	36%	0.357	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-29.6	175.5	47.7	0	0	0	0	113.8	F159 P160 A164 R167	F159-S162 WeakPolarHBondContact O-CB 3.3Å; F159-S162 PolarHBondContact O-N 2.88Å; F159-S162 PolarHBondContact O-OG 2.84Å; P160-S162 VanDerWaalsContact C-N 3.26Å; P160-S162 PolarHBondContact O-N 3.36Å; S162-A164 VanDerWaalsContact C-N 3.33Å; S162-R167 PolarHBondContact O-NH2 3.44Å
163	S	94.5	Very high	84.5	Confident	116 Å²	116	56.1 Å²	56.1	81%	0.811	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-8.4	174.1	59.9	0	0	0	0	114.7	G161	G161-S163 PolarHBondContact O-N 2.74Å
164	A	96.3	Very high	87.1	Confident	10 Å²	10	50.4 Å²	50.4	8%	0.083	33%	0.329	C	S	.	.			trans	-72.1	140.2	-178.2	0	0	0	0	0	111.5	G161 S162 R167 G190 F192	G161-A164 WeakPolarHBondContact O-CB 3.32Å; G161-A164 PolarHBondContact O-N 3.33Å; S162-A164 VanDerWaalsContact C-N 3.33Å; A164-R167 HydrophobicContact CB-CG 4.04Å; A164-R167 PolarHBondContact O-NE 2.87Å; A164-R167 PolarHBondContact O-NH2 2.97Å; A164-G190 CarbonylContact C-O 3.58Å; A164-G190 WeakPolarHBondContact CB-O 3.5Å; A164-F192 HydrophobicContact CB-CB 3.46Å; A164-F192 VanDerWaalsContact CB-CB 3.46Å; A164-F192 HydrophobicContact CB-CG 4.48Å
165	T	95.8	Very high	89.9	Confident	102 Å²	102	47.3 Å²	47.3	63%	0.626	29%	0.294	S	S	*	.	S	Bend	trans	-87.6	-23.8	177.5	52.2	0	0	0	0	112.1	G190	T165-G190 PolarHBondContact N-O 2.91Å; T165-G190 WeakPolarHBondContact OG1-CA 3.43Å; T165-G190 PolarHBondContact OG1-O 2.78Å
166	Y	97.4	Very high	92.3	Very high	33 Å²	33	39.9 Å²	39.9	13%	0.129	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	120.8	178.9	-161.2	-107.6	0	0	0	111	E115 Q119 I168 G190 L191 F192 D239 V240	E115-Y166 PolarHBondContact O-OH 2.94Å; Q119-Y166 PolarHBondContact NE2-OH 3.39Å; Y166-I168 HydrophobicContact CD1-CD1 4.3Å; Y166-I168 HydrophobicContact CD1-CG1 4.13Å; Y166-I168 HydrophobicContact CE1-CD1 3.92Å; Y166-I168 HydrophobicContact CE1-CG1 3.93Å; Y166-G190 PolarHBondContact N-O 2.96Å; Y166-L191 HydrophobicContact CD1-CD1 3.82Å; Y166-L191 WeakPolarHBondContact O-CA 3.46Å; Y166-F192 PolarHBondContact O-N 2.88Å; Y166-D239 WeakPolarHBondContact CA-OD2 3.24Å; Y166-D239 HydrophobicContact CD2-CB 3.62Å; Y166-D239 HydrophobicContact CE2-CB 3.45Å; Y166-D239 VanDerWaalsContact CE2-CB 3.45Å; Y166-D239 HydrophobicContact CG-CB 4.33Å; Y166-V240 HydrophobicContact CE1-CG2 4.24Å; Y166-V240 VanDerWaalsContact OH-CG2 3.24Å; Y166-V240 WeakPolarHBondContact OH-CG2 3.37Å
167	R	98.2	Very high	94.2	Very high	27 Å²	27	32.8 Å²	32.8	10%	0.102	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	128.3	-173.3	-58.9	-172.8	-162.9	104.8	1.2	111.5	G161 S162 A164 F192 Y194 S237 L238 D239 V240	G161-R167 PolarHBondContact O-NE 3.14Å; S162-R167 PolarHBondContact O-NH2 3.44Å; A164-R167 HydrophobicContact CB-CG 4.04Å; A164-R167 PolarHBondContact O-NE 2.87Å; A164-R167 PolarHBondContact O-NH2 2.97Å; R167-F192 WeakPolarHBondContact CA-O 3.04Å; R167-Y194 HydrophobicContact CB-CE2 4.18Å; R167-Y194 HydrophobicContact CG-CE2 4.42Å; R167-S237 PolarHBondContact NH1-O 3Å; R167-L238 HydrophobicContact CB-CD2 3.82Å; R167-D239 PolarHBondContact N-OD2 3.47Å; R167-D239 PolarHBondContact O-N 3.2Å; R167-V240 PolarHBondContact O-N 3.05Å
168	I	98.7	Very high	96	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	138.7	179.5	-54.5	-179.9	0	0	0	108.9	L116 Y166 I182 L191 F192 V193 Y194 V240 V242	L116-I168 HydrophobicContact CD2-CD1 3.99Å; L116-I168 HydrophobicContact CD2-CG2 4.17Å; Y166-I168 HydrophobicContact CD1-CD1 4.3Å; Y166-I168 HydrophobicContact CD1-CG1 4.13Å; Y166-I168 HydrophobicContact CE1-CD1 3.92Å; Y166-I168 HydrophobicContact CE1-CG1 3.93Å; I168-I182 HydrophobicContact CD1-CG2 4.11Å; I168-L191 HydrophobicContact CD1-CD1 3.81Å; I168-L191 HydrophobicContact CG1-CD1 4.1Å; I168-F192 PolarHBondContact N-O 3.16Å; I168-V193 CarbonylContact O-C 3.52Å; I168-V193 WeakPolarHBondContact O-CA 3.17Å; I168-Y194 PolarHBondContact O-N 3.36Å; I168-V240 CarbonylContact C-O 3.55Å; I168-V240 VanDerWaalsContact CA-O 3.31Å; I168-V240 WeakPolarHBondContact CA-O 3.42Å; I168-V240 HydrophobicContact CG1-CB 4.18Å; I168-V240 HydrophobicContact CG2-CB 4.24Å; I168-V240 HydrophobicContact CG2-CG1 4.45Å; I168-V242 HydrophobicContact CG2-CG2 4.18Å
169	L	98.8	Very high	96.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	119.1	165.4	173.4	63.8	0	0	0	110.1	V171 Y194 F220 F231 L238 V240 I241 V242 L262 L265	L169-V171 HydrophobicContact CD2-CG2 3.87Å; L169-V171 HydrophobicContact CG-CG2 3.83Å; L169-Y194 CarbonylContact C-O 3.56Å; L169-Y194 WeakPolarHBondContact CA-O 3.44Å; L169-F220 HydrophobicContact CD1-CE1 4.17Å; L169-F220 HydrophobicContact CD1-CZ 4.11Å; L169-F231 HydrophobicContact CD2-CD1 4.41Å; L169-F231 HydrophobicContact CD2-CE1 4.21Å; L169-L238 HydrophobicContact CB-CD1 3.57Å; L169-L238 HydrophobicContact CB-CD2 4.38Å; L169-L238 HydrophobicContact CD2-CD1 3.88Å; L169-L238 HydrophobicContact CG-CD1 4.38Å; L169-V240 PolarHBondContact N-O 2.61Å; L169-I241 HydrophobicContact CB-CG1 4.28Å; L169-I241 CarbonylContact O-C 3.49Å; L169-I241 WeakPolarHBondContact O-CA 3.39Å; L169-V242 PolarHBondContact O-N 3.39Å; L169-L262 HydrophobicContact CD2-CD2 4.12Å; L169-L265 HydrophobicContact CD2-CD1 4.03Å
170	E	98.8	Very high	96.7	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	119.7	162	-179.4	178.2	-160.1	0	0	109.7	C173 T178 V179 Y194 C195 C196	E170-C173 HydrophobicContact CG-CB 4.02Å; E170-T178 WeakPolarHBondContact OE1-CB 3.26Å; E170-T178 PolarHBondContact OE1-OG1 2.96Å; E170-T178 WeakPolarHBondContact OE2-CB 3.41Å; E170-V179 HydrophobicContact CB-CG2 3.94Å; E170-V179 WeakPolarHBondContact OE2-CG2 3.5Å; E170-V179 PolarHBondContact OE2-N 3.18Å; E170-Y194 PolarHBondContact N-O 3.41Å; E170-C195 HydrophobicContact CB-CB 4.16Å; E170-C195 VanDerWaalsContact O-CA 3.29Å; E170-C195 WeakPolarHBondContact O-CA 3.4Å; E170-C196 PolarHBondContact O-N 2.85Å
171	V	98.6	Very high	96.8	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	129.1	174.2	-176.1	0	0	0	0	109.2	L169 L224 I241 V242 L243 V246 L262	L169-V171 HydrophobicContact CD2-CG2 3.87Å; L169-V171 HydrophobicContact CG-CG2 3.83Å; V171-L224 HydrophobicContact CG1-CD1 3.23Å; V171-L224 HydrophobicContact CG1-CD2 3.69Å; V171-L224 HydrophobicContact CG1-CG 3.75Å; V171-I241 HydrophobicContact CG2-CG2 3.97Å; V171-V242 PolarHBondContact N-O 3.41Å; V171-L243 HydrophobicContact CB-CG 4.39Å; V171-V246 HydrophobicContact CB-CG1 4.48Å; V171-V246 HydrophobicContact CG1-CG1 4.3Å; V171-V246 HydrophobicContact CG1-CG2 4.24Å; V171-V246 WeakPolarHBondContact O-CG1 3.49Å; V171-L262 HydrophobicContact CG2-CD1 4.31Å; V171-L262 HydrophobicContact CG2-CD2 3.94Å
172	G	97.9	Very high	96.8	Very high	14 Å²	14	21.2 Å²	21.2	14%	0.144	13%	0.133	C	C	.	.	S	Bend	trans	72.9	52.9	-173.1	0	0	0	0	0	112	G174 C196	G172-G174 PolarHBondContact O-N 3.28Å; G172-C196 CarbonylContact C-O 3.58Å; G172-C196 VanDerWaalsContact CA-O 3.32Å; G172-C196 WeakPolarHBondContact CA-O 3.27Å; G172-C196 PolarHBondContact N-O 3.41Å
173	C	97.5	Very high	96.8	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.007	12%	0.12	C	C	.	.			trans	-68.2	-19.2	-171.3	68.7	0	0	0	0	114.4	E170 V175 G176 C195 C196 D197	E170-C173 HydrophobicContact CG-CB 4.02Å; C173-V175 PolarHBondContact O-N 3.39Å; C173-G176 PolarHBondContact O-N 2.94Å; C173-C195 HydrophobicContact CB-CB 3.65Å; C173-C196 PolarHBondContact N-O 3.21Å; C173-D197 PolarHBondContact N-OD2 2.88Å
174	G	96.9	Very high	96.7	Very high	3 Å²	3	20.9 Å²	20.9	3%	0.031	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	-125.7	-172.4	0	0	0	0	0	110.7	Y95 G172 G176 D197 A202 V206	Y95-G174 WeakPolarHBondContact OH-CA 3.27Å; G172-G174 PolarHBondContact O-N 3.28Å; G174-G176 VanDerWaalsContact C-N 3.32Å; G174-G176 PolarHBondContact O-N 2.85Å; G174-D197 WeakPolarHBondContact CA-OD2 3.42Å; G174-D197 PolarHBondContact N-OD2 3.13Å; G174-A202 CarbonylContact O-C 3.57Å; G174-V206 WeakPolarHBondContact O-CG2 3.45Å
175	V	95.8	Very high	96.5	Very high	11 Å²	11	23.4 Å²	23.4	7%	0.067	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	15	179.2	-57	0	0	0	0	114.4	Y95 E99 C173 N177 L205	Y95-V175 HydrophobicContact CD1-CG1 3.89Å; Y95-V175 HydrophobicContact CE1-CG1 4.06Å; E99-V175 WeakPolarHBondContact O-CG1 3.38Å; C173-V175 PolarHBondContact O-N 3.39Å; V175-N177 WeakPolarHBondContact CG2-ND2 3.38Å; V175-L205 HydrophobicContact CG1-CB 4.15Å; V175-L205 HydrophobicContact CG1-CD1 3.62Å
176	G	96.3	Very high	96.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	21.3	171.9	0	0	0	0	0	116	C173 G174 T178 V179 F180	C173-G176 PolarHBondContact O-N 2.94Å; G174-G176 VanDerWaalsContact C-N 3.32Å; G174-G176 PolarHBondContact O-N 2.85Å; G176-T178 PolarHBondContact O-N 3.1Å; G176-V179 PolarHBondContact O-N 3.43Å; G176-F180 WeakPolarHBondContact O-CD2 3.39Å; G176-F180 PolarHBondContact O-N 3.28Å
177	N	95.4	Very high	96	Very high	23 Å²	23	22.8 Å²	22.8	12%	0.123	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-3	-179.8	-77.6	-58.4	0	0	0	115	F103 R106 V175 P181	F103-N177 VanDerWaalsContact CB-ND2 3.26Å; F103-N177 WeakPolarHBondContact CB-ND2 3.45Å; R106-N177 WeakPolarHBondContact CD-O 3.48Å; R106-N177 WeakPolarHBondContact CG-O 3.26Å; R106-N177 VanDerWaalsContact CZ-CB 3.44Å; V175-N177 WeakPolarHBondContact CG2-ND2 3.38Å; N177-P181 WeakPolarHBondContact O-CG 3.19Å
178	T	95.9	Very high	95.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-50.2	169.1	-36.7	0	0	0	0	110.6	R106 L109 E170 G176 F180 P181 I182 I244	R106-T178 WeakPolarHBondContact CD-OG1 3.35Å; R106-T178 PolarHBondContact NE-OG1 3.39Å; L109-T178 HydrophobicContact CD1-CG2 3.6Å; L109-T178 HydrophobicContact CD2-CG2 3.57Å; L109-T178 HydrophobicContact CG-CG2 4.23Å; E170-T178 WeakPolarHBondContact OE1-CB 3.26Å; E170-T178 PolarHBondContact OE1-OG1 2.96Å; E170-T178 WeakPolarHBondContact OE2-CB 3.41Å; G176-T178 PolarHBondContact O-N 3.1Å; T178-F180 PolarHBondContact O-N 2.9Å; T178-P181 VanDerWaalsContact O-CD 3.28Å; T178-P181 WeakPolarHBondContact O-CD 3.24Å; T178-I182 HydrophobicContact CG2-CD1 3.99Å; T178-I182 VanDerWaalsContact O-CG1 3.32Å; T178-I182 WeakPolarHBondContact O-CG1 3.3Å; T178-I182 PolarHBondContact O-N 3.02Å; T178-I182 VanDerWaalsContact O-N 3.09Å; T178-I244 HydrophobicContact CG2-CD1 3.9Å
179	V	96.4	Very high	95.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-50.3	-51.8	176.9	162.5	0	0	0	0	113.4	E170 G176 I182 L183 V193 C195	E170-V179 HydrophobicContact CB-CG2 3.94Å; E170-V179 WeakPolarHBondContact OE2-CG2 3.5Å; E170-V179 PolarHBondContact OE2-N 3.18Å; G176-V179 PolarHBondContact O-N 3.43Å; V179-I182 WeakPolarHBondContact O-CB 3.46Å; V179-I182 PolarHBondContact O-N 3.14Å; V179-L183 HydrophobicContact CG1-CD1 3.68Å; V179-L183 HydrophobicContact CG1-CG 4.31Å; V179-L183 WeakPolarHBondContact O-CG 3.38Å; V179-L183 PolarHBondContact O-N 3.01Å; V179-V193 HydrophobicContact CG1-CG1 4.34Å; V179-V193 HydrophobicContact CG2-CG1 3.8Å; V179-C195 HydrophobicContact CG2-CB 3.36Å
180	F	96.3	Very high	95.3	Very high	14 Å²	14	31.1 Å²	31.1	6%	0.061	18%	0.177	C	C	.	.	H	α-helix	trans	-67	-44.2	-175.7	-61.5	-58.4	0	0	0	112.8	G176 T178 I182 L183 K184 V206 N209 E211	G176-F180 WeakPolarHBondContact O-CD2 3.39Å; G176-F180 PolarHBondContact O-N 3.28Å; T178-F180 PolarHBondContact O-N 2.9Å; F180-I182 VanDerWaalsContact C-N 3.28Å; F180-I182 PolarHBondContact O-N 3.13Å; F180-L183 HydrophobicContact CD1-CD1 4.34Å; F180-L183 PolarHBondContact O-N 3.18Å; F180-K184 VanDerWaalsContact O-CB 3.28Å; F180-K184 WeakPolarHBondContact O-CB 3.43Å; F180-K184 PolarHBondContact O-N 3.31Å; F180-V206 HydrophobicContact CE2-CG1 4.49Å; F180-V206 HydrophobicContact CZ-CG1 3.92Å; F180-N209 HydrophobicContact CE1-CB 4.02Å; F180-N209 HydrophobicContact CE2-CB 3.78Å; F180-N209 VanDerWaalsContact CE2-ND2 3.28Å; F180-N209 WeakPolarHBondContact CE2-ND2 3.49Å; F180-N209 HydrophobicContact CZ-CB 3.34Å; F180-N209 VanDerWaalsContact CZ-CG 3.47Å; F180-E211 HydrophobicContact CD1-CB 3.7Å; F180-E211 HydrophobicContact CE1-CB 4.06Å; F180-E211 HydrophobicContact CG-CB 4.43Å
181	P	95.7	Very high	95.2	Very high	38 Å²	38	31.2 Å²	31.2	25%	0.247	18%	0.178	C	C	.	.	H	α-helix	trans	-53.7	-41	169.3	-31.1	36.7	0	0	0	114.2	L109 F110 N177 T178 T185	L109-P181 HydrophobicContact CD2-CB 4.13Å; F110-P181 HydrophobicContact CE2-CB 4.37Å; F110-P181 HydrophobicContact CZ-CB 4.41Å; F110-P181 WeakPolarHBondContact CZ-O 3.29Å; N177-P181 WeakPolarHBondContact O-CG 3.19Å; T178-P181 VanDerWaalsContact O-CD 3.28Å; T178-P181 WeakPolarHBondContact O-CD 3.24Å; P181-T185 VanDerWaalsContact O-CB 3.25Å; P181-T185 WeakPolarHBondContact O-CB 3.46Å; P181-T185 PolarHBondContact O-N 2.63Å; P181-T185 PolarHBondContact O-OG1 3.34Å
182	I	95.8	Very high	95.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.4	-54.4	176.2	-67.7	168.4	0	0	0	110.2	L109 F110 L116 I168 T178 V179 F180 K184 T185 N186 L191 V193	L109-I182 HydrophobicContact CD2-CG1 4.17Å; F110-I182 HydrophobicContact CE1-CG1 4.34Å; F110-I182 HydrophobicContact CZ-CG1 4.46Å; L116-I182 HydrophobicContact CB-CD1 4.41Å; L116-I182 HydrophobicContact CB-CG1 4.25Å; L116-I182 HydrophobicContact CD1-CD1 4.19Å; L116-I182 HydrophobicContact CD2-CD1 4.22Å; I168-I182 HydrophobicContact CD1-CG2 4.11Å; T178-I182 HydrophobicContact CG2-CD1 3.99Å; T178-I182 VanDerWaalsContact O-CG1 3.32Å; T178-I182 WeakPolarHBondContact O-CG1 3.3Å; T178-I182 PolarHBondContact O-N 3.02Å; T178-I182 VanDerWaalsContact O-N 3.09Å; V179-I182 WeakPolarHBondContact O-CB 3.46Å; V179-I182 PolarHBondContact O-N 3.14Å; F180-I182 VanDerWaalsContact C-N 3.28Å; F180-I182 PolarHBondContact O-N 3.13Å; I182-K184 VanDerWaalsContact C-N 3.27Å; I182-K184 PolarHBondContact O-N 2.61Å; I182-T185 PolarHBondContact O-N 2.81Å; I182-N186 WeakPolarHBondContact O-CB 3.45Å; I182-N186 PolarHBondContact O-N 2.84Å; I182-L191 HydrophobicContact CG2-CD2 4.12Å; I182-V193 HydrophobicContact CG2-CG2 3.91Å
183	L	95.3	Very high	95.2	Very high	13 Å²	13	31 Å²	31	7%	0.068	17%	0.172	C	C	.	.	H	α-helix	trans	-59.8	-36.9	-177.6	-69.9	172.1	0	0	0	112.8	V179 F180 V193 R216 C217	V179-L183 HydrophobicContact CG1-CD1 3.68Å; V179-L183 HydrophobicContact CG1-CG 4.31Å; V179-L183 WeakPolarHBondContact O-CG 3.38Å; V179-L183 PolarHBondContact O-N 3.01Å; F180-L183 HydrophobicContact CD1-CD1 4.34Å; F180-L183 PolarHBondContact O-N 3.18Å; L183-V193 HydrophobicContact CD2-CB 4.23Å; L183-V193 HydrophobicContact CD2-CG2 3.78Å; L183-V193 HydrophobicContact CG-CG2 4.37Å; L183-R216 HydrophobicContact CD2-CB 3.93Å; L183-R216 PolarHBondContact O-NH1 2.9Å; L183-C217 HydrophobicContact CD1-CB 3.91Å; L183-C217 HydrophobicContact CD2-CB 4.48Å
184	K	93.8	Very high	95.3	Very high	147 Å²	147	31 Å²	31	64%	0.639	17%	0.172	S	C	*	.	H	α-helix	trans	-72.1	-36.3	177.9	-176.6	174.1	-177.1	170.7	0	113.2	F180 I182	F180-K184 VanDerWaalsContact O-CB 3.28Å; F180-K184 WeakPolarHBondContact O-CB 3.43Å; F180-K184 PolarHBondContact O-N 3.31Å; I182-K184 VanDerWaalsContact C-N 3.27Å; I182-K184 PolarHBondContact O-N 2.61Å
185	T	92	Very high	95.4	Very high	63 Å²	63	30.8 Å²	30.8	39%	0.387	17%	0.171	S	C	.	.	H	α-helix	trans	-88.1	-38.1	-173.8	-54.6	0	0	0	0	112.1	F110 P181 I182	F110-T185 HydrophobicContact CD2-CG2 4.29Å; F110-T185 HydrophobicContact CE1-CG2 4.35Å; F110-T185 HydrophobicContact CE2-CG2 3.88Å; F110-T185 VanDerWaalsContact CE2-OG1 3.22Å; F110-T185 WeakPolarHBondContact CE2-OG1 3.49Å; F110-T185 HydrophobicContact CZ-CG2 3.92Å; F110-T185 WeakPolarHBondContact CZ-OG1 3.41Å; P181-T185 VanDerWaalsContact O-CB 3.25Å; P181-T185 WeakPolarHBondContact O-CB 3.46Å; P181-T185 PolarHBondContact O-N 2.63Å; P181-T185 PolarHBondContact O-OG1 3.34Å; I182-T185 PolarHBondContact O-N 2.81Å
186	N	91.9	Very high	95.5	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.021	17%	0.168	C	C	.	.			trans	-101.5	105.7	179	-174.4	-12.9	0	0	0	108.9	P118 I182 D188 L191 R216	P118-N186 HydrophobicContact CB-CB 4.2Å; P118-N186 HydrophobicContact CG-CB 4.33Å; I182-N186 WeakPolarHBondContact O-CB 3.45Å; I182-N186 PolarHBondContact O-N 2.84Å; N186-D188 VanDerWaalsContact OD1-CB 3.23Å; N186-D188 WeakPolarHBondContact OD1-CB 3.41Å; N186-D188 PolarHBondContact OD1-N 3.4Å; N186-D188 VanDerWaalsContact OD1-N 3.12Å; N186-L191 HydrophobicContact CB-CD2 3.75Å; N186-R216 PolarHBondContact O-NH2 3.48Å
187	N	90.9	Very high	95.6	Very high	119 Å²	119	30.8 Å²	30.8	64%	0.636	17%	0.17	S	C	*	.			trans	-99.1	15.8	-179.7	-66.2	-57.4	0	0	0	113.2
188	D	92.9	Very high	95.6	Very high	64 Å²	64	32.3 Å²	32.3	34%	0.342	18%	0.176	S	C	.	.			trans	-63.9	127.7	176.7	-166.4	-46.5	0	0	0	110.1	N186 G190 L191	N186-D188 VanDerWaalsContact OD1-CB 3.23Å; N186-D188 WeakPolarHBondContact OD1-CB 3.41Å; N186-D188 PolarHBondContact OD1-N 3.4Å; N186-D188 VanDerWaalsContact OD1-N 3.12Å; D188-G190 PolarHBondContact O-N 3.24Å; D188-G190 WeakPolarHBondContact OD1-CA 3.36Å; D188-G190 PolarHBondContact OD1-N 2.71Å; D188-L191 WeakPolarHBondContact O-CB 3.28Å; D188-L191 PolarHBondContact O-N 2.82Å; D188-L191 VanDerWaalsContact O-N 3.13Å
189	P	92.4	Very high	95.7	Very high	127 Å²	127	32.3 Å²	32.3	83%	0.825	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-17.6	177.2	28.2	-36	0	0	0	113.4	L191	P189-L191 VanDerWaalsContact C-N 3.33Å
190	G	95.3	Very high	95.7	Very high	10 Å²	10	35.3 Å²	35.3	10%	0.103	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-4	173.9	0	0	0	0	0	114.4	A164 T165 Y166 D188	A164-G190 CarbonylContact C-O 3.58Å; A164-G190 WeakPolarHBondContact CB-O 3.5Å; T165-G190 PolarHBondContact N-O 2.91Å; T165-G190 WeakPolarHBondContact OG1-CA 3.43Å; T165-G190 PolarHBondContact OG1-O 2.78Å; Y166-G190 PolarHBondContact N-O 2.96Å; D188-G190 PolarHBondContact O-N 3.24Å; D188-G190 WeakPolarHBondContact OD1-CA 3.36Å; D188-G190 PolarHBondContact OD1-N 2.71Å
191	L	97.3	Very high	95.8	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	131.7	175.5	178.6	71.7	0	0	0	111.6	Y166 I168 I182 N186 D188 P189 V193	Y166-L191 HydrophobicContact CD1-CD1 3.82Å; Y166-L191 WeakPolarHBondContact O-CA 3.46Å; I168-L191 HydrophobicContact CD1-CD1 3.81Å; I168-L191 HydrophobicContact CG1-CD1 4.1Å; I182-L191 HydrophobicContact CG2-CD2 4.12Å; N186-L191 HydrophobicContact CB-CD2 3.75Å; D188-L191 WeakPolarHBondContact O-CB 3.28Å; D188-L191 PolarHBondContact O-N 2.82Å; D188-L191 VanDerWaalsContact O-N 3.13Å; P189-L191 VanDerWaalsContact C-N 3.33Å; L191-V193 HydrophobicContact CD1-CG2 4.23Å; L191-V193 HydrophobicContact CD2-CG2 4.07Å; L191-V193 HydrophobicContact CG-CG2 4.07Å
192	F	98.1	Very high	95.8	Very high	10 Å²	10	34.6 Å²	34.6	4%	0.044	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	132	165	-162.1	-89.1	0	0	0	111.5	P160 G161 A164 Y166 R167 I168 Y194 N215 F218	P160-F192 HydrophobicContact CB-CE1 3.99Å; P160-F192 HydrophobicContact CB-CZ 3.74Å; G161-F192 VanDerWaalsContact CA-CG 3.44Å; A164-F192 HydrophobicContact CB-CB 3.46Å; A164-F192 VanDerWaalsContact CB-CB 3.46Å; A164-F192 HydrophobicContact CB-CG 4.48Å; Y166-F192 PolarHBondContact O-N 2.88Å; R167-F192 WeakPolarHBondContact CA-O 3.04Å; I168-F192 PolarHBondContact N-O 3.16Å; F192-Y194 HydrophobicContact CD1-CD1 4.31Å; F192-Y194 HydrophobicContact CD1-CD2 4.08Å; F192-Y194 AromaticContact CD1-CE1 3.98Å; F192-Y194 HydrophobicContact CD1-CE1 3.98Å; F192-Y194 AromaticContact CD1-CE2 3.73Å; F192-Y194 HydrophobicContact CD1-CE2 3.73Å; F192-Y194 HydrophobicContact CD1-CG 4.38Å; F192-Y194 AromaticContact CD1-CZ 3.71Å; F192-Y194 AromaticContact CE1-CD1 3.93Å; F192-Y194 HydrophobicContact CE1-CD1 3.93Å; F192-Y194 AromaticContact CE1-CE1 3.6Å; F192-Y194 HydrophobicContact CE1-CE1 3.6Å; F192-Y194 HydrophobicContact CE1-CE2 4.23Å; F192-Y194 HydrophobicContact CE1-CG 4.39Å; F192-Y194 AromaticContact CE1-CZ 3.81Å; F192-N215 WeakPolarHBondContact CD2-O 3.21Å; F192-N215 WeakPolarHBondContact CE2-O 3.3Å; F192-F218 HydrophobicContact CE1-CB 3.78Å; F192-F218 HydrophobicContact CZ-CB 3.93Å
193	V	98.5	Very high	96	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119	-176.6	-174.5	0	0	0	0	109.9	I168 V179 I182 L183 L191 R216 C217 F218	I168-V193 CarbonylContact O-C 3.52Å; I168-V193 WeakPolarHBondContact O-CA 3.17Å; V179-V193 HydrophobicContact CG1-CG1 4.34Å; V179-V193 HydrophobicContact CG2-CG1 3.8Å; I182-V193 HydrophobicContact CG2-CG2 3.91Å; L183-V193 HydrophobicContact CD2-CB 4.23Å; L183-V193 HydrophobicContact CD2-CG2 3.78Å; L183-V193 HydrophobicContact CG-CG2 4.37Å; L191-V193 HydrophobicContact CD1-CG2 4.23Å; L191-V193 HydrophobicContact CD2-CG2 4.07Å; L191-V193 HydrophobicContact CG-CG2 4.07Å; V193-R216 PolarHBondContact N-O 2.81Å; V193-C217 CarbonylContact O-C 3.53Å; V193-C217 WeakPolarHBondContact O-CA 3.45Å; V193-C217 PolarHBondContact O-SG 2.94Å; V193-F218 PolarHBondContact O-N 3.39Å
194	Y	98.8	Very high	96.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	147	164.8	-57.2	-90.1	0	0	0	109	F159 P160 R167 I168 L169 E170 F192 F218 I233 L238	F159-Y194 VanDerWaalsContact CD2-OH 3.31Å; F159-Y194 WeakPolarHBondContact CD2-OH 3.13Å; F159-Y194 WeakPolarHBondContact CE2-OH 3.3Å; P160-Y194 HydrophobicContact CB-CE1 4.31Å; P160-Y194 PolarHBondContact O-OH 2.98Å; R167-Y194 HydrophobicContact CB-CE2 4.18Å; R167-Y194 HydrophobicContact CG-CE2 4.42Å; I168-Y194 PolarHBondContact O-N 3.36Å; L169-Y194 CarbonylContact C-O 3.56Å; L169-Y194 WeakPolarHBondContact CA-O 3.44Å; E170-Y194 PolarHBondContact N-O 3.41Å; F192-Y194 HydrophobicContact CD1-CD1 4.31Å; F192-Y194 HydrophobicContact CD1-CD2 4.08Å; F192-Y194 AromaticContact CD1-CE1 3.98Å; F192-Y194 HydrophobicContact CD1-CE1 3.98Å; F192-Y194 AromaticContact CD1-CE2 3.73Å; F192-Y194 HydrophobicContact CD1-CE2 3.73Å; F192-Y194 HydrophobicContact CD1-CG 4.38Å; F192-Y194 AromaticContact CD1-CZ 3.71Å; F192-Y194 AromaticContact CE1-CD1 3.93Å; F192-Y194 HydrophobicContact CE1-CD1 3.93Å; F192-Y194 AromaticContact CE1-CE1 3.6Å; F192-Y194 HydrophobicContact CE1-CE1 3.6Å; F192-Y194 HydrophobicContact CE1-CE2 4.23Å; F192-Y194 HydrophobicContact CE1-CG 4.39Å; F192-Y194 AromaticContact CE1-CZ 3.81Å; Y194-F218 WeakPolarHBondContact CA-O 3.11Å; Y194-F218 HydrophobicContact CD1-CB 4.01Å; Y194-F218 HydrophobicContact CD1-CD1 4.22Å; Y194-F218 HydrophobicContact CE1-CB 4.46Å; Y194-I233 HydrophobicContact CD1-CD1 3.64Å; Y194-I233 HydrophobicContact CD1-CG1 3.41Å; Y194-I233 VanDerWaalsContact CD1-CG1 3.41Å; Y194-I233 HydrophobicContact CD2-CD1 4.39Å; Y194-I233 HydrophobicContact CD2-CG1 3.94Å; Y194-I233 HydrophobicContact CE1-CD1 4.01Å; Y194-I233 HydrophobicContact CE1-CG1 3.24Å; Y194-I233 HydrophobicContact CE2-CG1 3.79Å; Y194-I233 HydrophobicContact CE2-CG2 4.2Å; Y194-I233 HydrophobicContact CG-CD1 3.82Å; Y194-I233 HydrophobicContact CG-CG1 3.73Å; Y194-L238 HydrophobicContact CD2-CD2 3.9Å; Y194-L238 HydrophobicContact CE2-CD2 3.95Å
195	C	98.6	Very high	96.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	139.7	170.7	58.1	0	0	0	0	111.6	E170 C173 V179 F218 A219 F220	E170-C195 HydrophobicContact CB-CB 4.16Å; E170-C195 VanDerWaalsContact O-CA 3.29Å; E170-C195 WeakPolarHBondContact O-CA 3.4Å; C173-C195 HydrophobicContact CB-CB 3.65Å; V179-C195 HydrophobicContact CG2-CB 3.36Å; C195-F218 PolarHBondContact N-O 2.84Å; C195-A219 CarbonylContact O-C 3.6Å; C195-A219 VanDerWaalsContact O-CA 3.25Å; C195-A219 WeakPolarHBondContact O-CA 3.17Å; C195-A219 VanDerWaalsContact SG-CB 3.56Å; C195-F220 WeakPolarHBondContact O-CD1 3.18Å; C195-F220 PolarHBondContact O-N 2.75Å
196	C	98.6	Very high	96.5	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.007	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	153.9	176.6	65.7	0	0	0	0	112.7	E170 G172 C173 F220 H222	E170-C196 PolarHBondContact O-N 2.85Å; G172-C196 CarbonylContact C-O 3.58Å; G172-C196 VanDerWaalsContact CA-O 3.32Å; G172-C196 WeakPolarHBondContact CA-O 3.27Å; G172-C196 PolarHBondContact N-O 3.41Å; C173-C196 PolarHBondContact N-O 3.21Å; C196-F220 WeakPolarHBondContact CA-O 3.24Å; C196-F220 HydrophobicContact CB-CD1 4.15Å; C196-F220 HydrophobicContact CB-CD2 3.87Å; C196-F220 HydrophobicContact CB-CE1 3.87Å; C196-F220 HydrophobicContact CB-CE2 3.58Å; C196-F220 HydrophobicContact CB-CG 4.15Å; C196-F220 HydrophobicContact CB-CZ 3.58Å; C196-F220 WeakPolarHBondContact CB-O 3.39Å; C196-H222 HydrophobicContact CB-CB 3.78Å
197	D	98.5	Very high	96.8	Very high	9 Å²	9	35.2 Å²	35.2	5%	0.048	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	154	170.7	-157.7	-76.1	0	0	0	109.1	C173 G174 S199 A202 V203 F220 V221 H222	C173-D197 PolarHBondContact N-OD2 2.88Å; G174-D197 WeakPolarHBondContact CA-OD2 3.42Å; G174-D197 PolarHBondContact N-OD2 3.13Å; D197-S199 PolarHBondContact O-N 2.66Å; D197-S199 WeakPolarHBondContact OD1-CB 3.4Å; D197-S199 PolarHBondContact OD1-N 2.76Å; D197-A202 HydrophobicContact CB-CB 3.92Å; D197-V203 HydrophobicContact CB-CG2 3.98Å; D197-F220 PolarHBondContact N-O 2.71Å; D197-V221 WeakPolarHBondContact O-CA 3.48Å; D197-H222 CarbonylContact C-O 3.57Å; D197-H222 PolarHBondContact O-N 2.93Å
198	F	95.4	Very high	97.1	Very high	56 Å²	56	33.8 Å²	33.8	25%	0.246	19%	0.189	C	C	.	.	S	Bend	trans	-66.9	-29.7	173.1	-176.3	-147.5	0	0	0	111.2	A87 H222 D223	A87-F198 HydrophobicContact CB-CE1 3.87Å; A87-F198 HydrophobicContact CB-CZ 4.47Å; F198-H222 WeakPolarHBondContact CA-O 3.4Å; F198-H222 PolarHBondContact N-O 2.9Å; F198-D223 HydrophobicContact CD2-CB 3.66Å; F198-D223 HydrophobicContact CE2-CB 3.64Å; F198-D223 WeakPolarHBondContact CE2-OD2 3.31Å
199	S	97.1	Very high	97.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.184	C	C	.	.			trans	-85.6	121.2	178.4	176.6	0	0	0	0	112.2	N92 Y95 D197 T201 A202 V203	N92-S199 WeakPolarHBondContact OD1-CA 3.28Å; N92-S199 VanDerWaalsContact OD1-CB 3.25Å; N92-S199 WeakPolarHBondContact OD1-CB 3.47Å; N92-S199 PolarHBondContact OD1-OG 3.27Å; Y95-S199 WeakPolarHBondContact CD2-OG 3.24Å; D197-S199 PolarHBondContact O-N 2.66Å; D197-S199 WeakPolarHBondContact OD1-CB 3.4Å; D197-S199 PolarHBondContact OD1-N 2.76Å; S199-T201 PolarHBondContact O-N 3.36Å; S199-T201 PolarHBondContact OG-N 3.03Å; S199-A202 WeakPolarHBondContact O-CB 3.34Å; S199-A202 PolarHBondContact O-N 2.95Å; S199-A202 PolarHBondContact OG-N 3.12Å; S199-V203 PolarHBondContact O-N 3.15Å
200	S	96.9	Very high	97.4	Very high	62 Å²	62	33 Å²	33	43%	0.434	19%	0.185	S	C	.	.	H	α-helix	trans	-61.6	-34.2	169.3	55.6	0	0	0	0	112.4	N92 V203 E204	N92-S200 PolarHBondContact OD1-N 3.23Å; S200-V203 PolarHBondContact O-N 2.84Å; S200-E204 WeakPolarHBondContact O-CB 3.29Å; S200-E204 PolarHBondContact O-N 3.15Å
201	T	97.5	Very high	97.4	Very high	38 Å²	38	37.5 Å²	37.5	23%	0.233	20%	0.203	C	C	.	.	H	α-helix	trans	-63.8	-42.9	176.4	-53.2	0	0	0	0	111.4	S199 E204 L205	S199-T201 PolarHBondContact O-N 3.36Å; S199-T201 PolarHBondContact OG-N 3.03Å; T201-E204 PolarHBondContact O-N 2.76Å; T201-L205 HydrophobicContact CG2-CD1 4.49Å; T201-L205 WeakPolarHBondContact O-CG 3.32Å; T201-L205 PolarHBondContact O-N 3.02Å
202	A	97.2	Very high	97.4	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.5	-48.4	175.2	0	0	0	0	0	112.2	Y95 G174 D197 S199 E204 L205 V206	Y95-A202 HydrophobicContact CD1-CB 4.18Å; Y95-A202 HydrophobicContact CD2-CB 3.67Å; Y95-A202 HydrophobicContact CE1-CB 4.17Å; Y95-A202 HydrophobicContact CE2-CB 3.66Å; Y95-A202 HydrophobicContact CG-CB 3.94Å; G174-A202 CarbonylContact O-C 3.57Å; D197-A202 HydrophobicContact CB-CB 3.92Å; S199-A202 WeakPolarHBondContact O-CB 3.34Å; S199-A202 PolarHBondContact O-N 2.95Å; S199-A202 PolarHBondContact OG-N 3.12Å; A202-E204 VanDerWaalsContact C-N 3.28Å; A202-E204 PolarHBondContact O-N 3.22Å; A202-L205 WeakPolarHBondContact O-CB 3.14Å; A202-L205 PolarHBondContact O-N 3.39Å; A202-L205 VanDerWaalsContact O-N 3.15Å; A202-V206 PolarHBondContact O-N 2.8Å
203	V	98.3	Very high	97.3	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.018	22%	0.222	C	C	.	.	H	α-helix	trans	-60.4	-39.1	178.7	173.1	0	0	0	0	111.4	D197 S199 S200 V206 K207 A219 F220 V221	D197-V203 HydrophobicContact CB-CG2 3.98Å; S199-V203 PolarHBondContact O-N 3.15Å; S200-V203 PolarHBondContact O-N 2.84Å; V203-V206 PolarHBondContact O-N 2.6Å; V203-K207 HydrophobicContact CG1-CD 4.18Å; V203-K207 WeakPolarHBondContact O-CG 3.38Å; V203-K207 PolarHBondContact O-N 3.14Å; V203-A219 HydrophobicContact CG1-CB 4.15Å; V203-F220 WeakPolarHBondContact CG2-O 3.39Å; V203-V221 HydrophobicContact CB-CG2 4.05Å; V203-V221 HydrophobicContact CG1-CG2 4.24Å; V203-V221 HydrophobicContact CG2-CG2 3.94Å
204	E	97.9	Very high	97.2	Very high	105 Å²	105	47.2 Å²	47.2	49%	0.491	25%	0.253	S	S	.	.	H	α-helix	trans	-66.1	-39.9	176.2	-170	58.6	-153.6	0	0	112.3	S200 T201 A202 V206 K207 T208	S200-E204 WeakPolarHBondContact O-CB 3.29Å; S200-E204 PolarHBondContact O-N 3.15Å; T201-E204 PolarHBondContact O-N 2.76Å; A202-E204 VanDerWaalsContact C-N 3.28Å; A202-E204 PolarHBondContact O-N 3.22Å; E204-V206 VanDerWaalsContact C-N 3.26Å; E204-V206 PolarHBondContact O-N 2.92Å; E204-K207 PolarHBondContact O-N 3.36Å; E204-T208 HydrophobicContact CG-CG2 4.29Å; E204-T208 WeakPolarHBondContact O-CB 3.41Å; E204-T208 WeakPolarHBondContact O-CG2 3.17Å; E204-T208 PolarHBondContact O-N 2.8Å; E204-T208 PolarHBondContact O-OG1 3.03Å; E204-T208 VanDerWaalsContact OE1-CG2 3.32Å; E204-T208 WeakPolarHBondContact OE1-CG2 3.38Å
205	L	97.3	Very high	97	Very high	48 Å²	48	53.5 Å²	53.5	25%	0.251	29%	0.287	S	S	.	.	H	α-helix	trans	-62	-34.2	174	-70.9	168.6	0	0	0	112.2	V175 T201 A202 T208 N209	V175-L205 HydrophobicContact CG1-CB 4.15Å; V175-L205 HydrophobicContact CG1-CD1 3.62Å; T201-L205 HydrophobicContact CG2-CD1 4.49Å; T201-L205 WeakPolarHBondContact O-CG 3.32Å; T201-L205 PolarHBondContact O-N 3.02Å; A202-L205 WeakPolarHBondContact O-CB 3.14Å; A202-L205 PolarHBondContact O-N 3.39Å; A202-L205 VanDerWaalsContact O-N 3.15Å; L205-T208 PolarHBondContact O-OG1 3.11Å; L205-N209 PolarHBondContact O-N 3.04Å
206	V	98.1	Very high	96.9	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-68.3	-48.5	172.4	171.9	0	0	0	0	110.7	G174 F180 A202 V203 E204 T208 N209 Y212 A219	G174-V206 WeakPolarHBondContact O-CG2 3.45Å; F180-V206 HydrophobicContact CE2-CG1 4.49Å; F180-V206 HydrophobicContact CZ-CG1 3.92Å; A202-V206 PolarHBondContact O-N 2.8Å; V203-V206 PolarHBondContact O-N 2.6Å; E204-V206 VanDerWaalsContact C-N 3.26Å; E204-V206 PolarHBondContact O-N 2.92Å; V206-T208 VanDerWaalsContact C-N 3.3Å; V206-T208 PolarHBondContact O-N 3.3Å; V206-N209 VanDerWaalsContact O-CB 3.27Å; V206-N209 WeakPolarHBondContact O-CB 3.4Å; V206-N209 PolarHBondContact O-N 2.92Å; V206-Y212 HydrophobicContact CG1-CD2 3.96Å; V206-Y212 HydrophobicContact CG1-CE2 4.21Å; V206-Y212 WeakPolarHBondContact O-CB 3.47Å; V206-A219 HydrophobicContact CB-CB 4.47Å; V206-A219 HydrophobicContact CG1-CB 3.89Å
207	K	98	Very high	96.9	Very high	84 Å²	84	55.8 Å²	55.8	37%	0.365	30%	0.295	S	S	.	.	H	α-helix	trans	-65.3	-30.4	-177.3	-73.5	178.5	177.1	179.4	0	114	V203 E204 N209 Y212 A219	V203-K207 HydrophobicContact CG1-CD 4.18Å; V203-K207 WeakPolarHBondContact O-CG 3.38Å; V203-K207 PolarHBondContact O-N 3.14Å; E204-K207 PolarHBondContact O-N 3.36Å; K207-N209 VanDerWaalsContact C-N 3.34Å; K207-Y212 HydrophobicContact CB-CE1 4.5Å; K207-Y212 HydrophobicContact CG-CE1 4.14Å; K207-A219 WeakPolarHBondContact CE-O 3.41Å; K207-A219 HydrophobicContact CG-CB 4Å; K207-A219 PolarHBondContact NZ-O 3.19Å; K207-A219 VanDerWaalsContact NZ-O 3.17Å
208	T	96.9	Very high	96.9	Very high	89 Å²	89	58.1 Å²	58.1	55%	0.546	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-6.7	178.7	53.6	0	0	0	0	113.3	E204 L205 V206	E204-T208 HydrophobicContact CG-CG2 4.29Å; E204-T208 WeakPolarHBondContact O-CB 3.41Å; E204-T208 WeakPolarHBondContact O-CG2 3.17Å; E204-T208 PolarHBondContact O-N 2.8Å; E204-T208 PolarHBondContact O-OG1 3.03Å; E204-T208 VanDerWaalsContact OE1-CG2 3.32Å; E204-T208 WeakPolarHBondContact OE1-CG2 3.38Å; L205-T208 PolarHBondContact O-OG1 3.11Å; V206-T208 VanDerWaalsContact C-N 3.3Å; V206-T208 PolarHBondContact O-N 3.3Å
209	N	96.7	Very high	97	Very high	43 Å²	43	55.5 Å²	55.5	23%	0.23	29%	0.293	C	S	.	.	S	Bend	trans	-67.5	132.8	175.9	-170.1	-53.9	0	0	0	110.4	F180 L205 V206 K207 E211 Y212	F180-N209 HydrophobicContact CE1-CB 4.02Å; F180-N209 HydrophobicContact CE2-CB 3.78Å; F180-N209 VanDerWaalsContact CE2-ND2 3.28Å; F180-N209 WeakPolarHBondContact CE2-ND2 3.49Å; F180-N209 HydrophobicContact CZ-CB 3.34Å; F180-N209 VanDerWaalsContact CZ-CG 3.47Å; L205-N209 PolarHBondContact O-N 3.04Å; V206-N209 VanDerWaalsContact O-CB 3.27Å; V206-N209 WeakPolarHBondContact O-CB 3.4Å; V206-N209 PolarHBondContact O-N 2.92Å; K207-N209 VanDerWaalsContact C-N 3.34Å; N209-E211 PolarHBondContact O-N 2.85Å; N209-E211 VanDerWaalsContact O-N 3.1Å; N209-E211 WeakPolarHBondContact OD1-CB 3.48Å; N209-E211 PolarHBondContact OD1-N 3.02Å; N209-Y212 VanDerWaalsContact O-CB 3.24Å; N209-Y212 WeakPolarHBondContact O-CB 3.35Å; N209-Y212 PolarHBondContact O-N 3.37Å
210	P	95.6	Very high	97.1	Very high	132 Å²	132	56.3 Å²	56.3	86%	0.857	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-21.6	177.8	-25.5	34.6	0	0	0	115.4	Y212	P210-Y212 VanDerWaalsContact C-N 3.31Å
211	E	94.3	Very high	97.1	Very high	103 Å²	103	57 Å²	57	48%	0.481	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-2.7	176.7	-61.9	-176.3	-103.7	0	0	113	F180 N209 D213	F180-E211 HydrophobicContact CD1-CB 3.7Å; F180-E211 HydrophobicContact CE1-CB 4.06Å; F180-E211 HydrophobicContact CG-CB 4.43Å; N209-E211 PolarHBondContact O-N 2.85Å; N209-E211 VanDerWaalsContact O-N 3.1Å; N209-E211 WeakPolarHBondContact OD1-CB 3.48Å; N209-E211 PolarHBondContact OD1-N 3.02Å; E211-D213 PolarHBondContact O-N 3.25Å
212	Y	97.3	Very high	97.2	Very high	35 Å²	35	55.8 Å²	55.8	14%	0.137	29%	0.29	C	S	.	.			trans	-76.2	114.3	177.2	-173.8	-104.3	0	0	0	111.2	V206 K207 N209 P210 L214 C217 A219	V206-Y212 HydrophobicContact CG1-CD2 3.96Å; V206-Y212 HydrophobicContact CG1-CE2 4.21Å; V206-Y212 WeakPolarHBondContact O-CB 3.47Å; K207-Y212 HydrophobicContact CB-CE1 4.5Å; K207-Y212 HydrophobicContact CG-CE1 4.14Å; N209-Y212 VanDerWaalsContact O-CB 3.24Å; N209-Y212 WeakPolarHBondContact O-CB 3.35Å; N209-Y212 PolarHBondContact O-N 3.37Å; P210-Y212 VanDerWaalsContact C-N 3.31Å; Y212-L214 HydrophobicContact CE1-CD2 3.53Å; Y212-L214 HydrophobicContact CE1-CG 4Å; Y212-C217 HydrophobicContact CD2-CB 4.21Å; Y212-C217 HydrophobicContact CE2-CB 3.96Å; Y212-A219 HydrophobicContact CE2-CB 3.77Å; Y212-A219 PolarHBondContact OH-N 3.13Å
213	D	95.7	Very high	97.1	Very high	61 Å²	61	58 Å²	58	33%	0.326	30%	0.302	S	S	.	.			trans	-116.9	114.6	178.3	179.4	1.5	0	0	0	110.4	E211 N215 R216 C217	E211-D213 PolarHBondContact O-N 3.25Å; D213-N215 PolarHBondContact O-N 2.86Å; D213-N215 VanDerWaalsContact O-N 3.14Å; D213-N215 WeakPolarHBondContact OD1-CB 3.48Å; D213-N215 PolarHBondContact OD1-N 2.93Å; D213-N215 PolarHBondContact OD1-ND2 2.9Å; D213-R216 HydrophobicContact CB-CB 4.44Å; D213-R216 PolarHBondContact O-N 2.92Å; D213-R216 WeakPolarHBondContact OD2-CG 3.27Å; D213-C217 WeakPolarHBondContact O-CB 3.3Å; D213-C217 PolarHBondContact O-N 2.63Å
214	L	95.6	Very high	97	Very high	122 Å²	122	58.4 Å²	58.4	64%	0.639	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.7	179.7	-73.3	170.2	0	0	0	113.8	Y212 R216	Y212-L214 HydrophobicContact CE1-CD2 3.53Å; Y212-L214 HydrophobicContact CE1-CG 4Å; L214-R216 VanDerWaalsContact C-N 3.28Å
215	N	95.7	Very high	96.7	Very high	133 Å²	133	55 Å²	55	71%	0.711	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-18.3	176.8	-57.8	-64.1	0	0	0	112.4	F192 D213	F192-N215 WeakPolarHBondContact CD2-O 3.21Å; F192-N215 WeakPolarHBondContact CE2-O 3.3Å; D213-N215 PolarHBondContact O-N 2.86Å; D213-N215 VanDerWaalsContact O-N 3.14Å; D213-N215 WeakPolarHBondContact OD1-CB 3.48Å; D213-N215 PolarHBondContact OD1-N 2.93Å; D213-N215 PolarHBondContact OD1-ND2 2.9Å
216	R	96.8	Very high	96.5	Very high	48 Å²	48	56 Å²	56	18%	0.181	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-16	-173.5	-56.6	-169.2	69.5	-149.7	-6.3	113.2	L183 N186 V193 D213 L214	L183-R216 HydrophobicContact CD2-CB 3.93Å; L183-R216 PolarHBondContact O-NH1 2.9Å; N186-R216 PolarHBondContact O-NH2 3.48Å; V193-R216 PolarHBondContact N-O 2.81Å; D213-R216 HydrophobicContact CB-CB 4.44Å; D213-R216 PolarHBondContact O-N 2.92Å; D213-R216 WeakPolarHBondContact OD2-CG 3.27Å; L214-R216 VanDerWaalsContact C-N 3.28Å
217	C	97.4	Very high	96.1	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	142	-171.6	-167.3	0	0	0	0	112.3	L183 V193 Y212 D213	L183-C217 HydrophobicContact CD1-CB 3.91Å; L183-C217 HydrophobicContact CD2-CB 4.48Å; V193-C217 CarbonylContact O-C 3.53Å; V193-C217 WeakPolarHBondContact O-CA 3.45Å; V193-C217 PolarHBondContact O-SG 2.94Å; Y212-C217 HydrophobicContact CD2-CB 4.21Å; Y212-C217 HydrophobicContact CE2-CB 3.96Å; D213-C217 WeakPolarHBondContact O-CB 3.3Å; D213-C217 PolarHBondContact O-N 2.63Å
218	F	98.4	Very high	95.7	Very high	59 Å²	59	63.6 Å²	63.6	26%	0.259	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	109.1	171.3	-172.2	-106.7	0	0	0	111.7	P160 F192 V193 Y194 C195 F220 P232	P160-F218 HydrophobicContact CB-CB 4.19Å; P160-F218 HydrophobicContact CB-CD2 4.27Å; P160-F218 HydrophobicContact CB-CG 4.1Å; P160-F218 HydrophobicContact CG-CD1 4.32Å; P160-F218 HydrophobicContact CG-CD2 4.13Å; P160-F218 HydrophobicContact CG-CE1 4.46Å; P160-F218 HydrophobicContact CG-CE2 4.28Å; P160-F218 HydrophobicContact CG-CG 4.15Å; P160-F218 HydrophobicContact CG-CZ 4.44Å; F192-F218 HydrophobicContact CE1-CB 3.78Å; F192-F218 HydrophobicContact CZ-CB 3.93Å; V193-F218 PolarHBondContact O-N 3.39Å; Y194-F218 WeakPolarHBondContact CA-O 3.11Å; Y194-F218 HydrophobicContact CD1-CB 4.01Å; Y194-F218 HydrophobicContact CD1-CD1 4.22Å; Y194-F218 HydrophobicContact CE1-CB 4.46Å; C195-F218 PolarHBondContact N-O 2.84Å; F218-F220 HydrophobicContact CD1-CB 4.49Å; F218-F220 AromaticContact CD1-CD1 3.87Å; F218-F220 HydrophobicContact CD1-CD1 3.87Å; F218-F220 HydrophobicContact CE1-CB 3.98Å; F218-F220 HydrophobicContact CE1-CD1 4.07Å; F218-F220 HydrophobicContact CE1-CG 4.28Å; F218-P232 HydrophobicContact CD1-CG 4.22Å; F218-P232 HydrophobicContact CE1-CB 3.97Å; F218-P232 HydrophobicContact CE1-CG 3.84Å
219	A	98.6	Very high	95.5	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	131.4	177.1	0	0	0	0	0	112.2	C195 V203 V206 K207 Y212	C195-A219 CarbonylContact O-C 3.6Å; C195-A219 VanDerWaalsContact O-CA 3.25Å; C195-A219 WeakPolarHBondContact O-CA 3.17Å; C195-A219 VanDerWaalsContact SG-CB 3.56Å; V203-A219 HydrophobicContact CG1-CB 4.15Å; V206-A219 HydrophobicContact CB-CB 4.47Å; V206-A219 HydrophobicContact CG1-CB 3.89Å; K207-A219 WeakPolarHBondContact CE-O 3.41Å; K207-A219 HydrophobicContact CG-CB 4Å; K207-A219 PolarHBondContact NZ-O 3.19Å; K207-A219 VanDerWaalsContact NZ-O 3.17Å; Y212-A219 HydrophobicContact CE2-CB 3.77Å; Y212-A219 PolarHBondContact OH-N 3.13Å
220	F	98.5	Very high	95.3	Very high	17 Å²	17	63.3 Å²	63.3	8%	0.075	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	153.2	-179.8	63.4	-78.9	0	0	0	113	L169 C195 C196 D197 V203 F218 H222 F231 P232 I233	L169-F220 HydrophobicContact CD1-CE1 4.17Å; L169-F220 HydrophobicContact CD1-CZ 4.11Å; C195-F220 WeakPolarHBondContact O-CD1 3.18Å; C195-F220 PolarHBondContact O-N 2.75Å; C196-F220 WeakPolarHBondContact CA-O 3.24Å; C196-F220 HydrophobicContact CB-CD1 4.15Å; C196-F220 HydrophobicContact CB-CD2 3.87Å; C196-F220 HydrophobicContact CB-CE1 3.87Å; C196-F220 HydrophobicContact CB-CE2 3.58Å; C196-F220 HydrophobicContact CB-CG 4.15Å; C196-F220 HydrophobicContact CB-CZ 3.58Å; C196-F220 WeakPolarHBondContact CB-O 3.39Å; D197-F220 PolarHBondContact N-O 2.71Å; V203-F220 WeakPolarHBondContact CG2-O 3.39Å; F218-F220 HydrophobicContact CD1-CB 4.49Å; F218-F220 AromaticContact CD1-CD1 3.87Å; F218-F220 HydrophobicContact CD1-CD1 3.87Å; F218-F220 HydrophobicContact CE1-CB 3.98Å; F218-F220 HydrophobicContact CE1-CD1 4.07Å; F218-F220 HydrophobicContact CE1-CG 4.28Å; F220-H222 HydrophobicContact CD2-CB 3.88Å; F220-H222 HydrophobicContact CE2-CB 3.65Å; F220-H222 AromaticContact CE2-CG 3.92Å; F220-F231 HydrophobicContact CE2-CD1 4.21Å; F220-F231 HydrophobicContact CZ-CD1 4.11Å; F220-P232 HydrophobicContact CD1-CG 3.76Å; F220-P232 HydrophobicContact CD2-CG 3.82Å; F220-P232 HydrophobicContact CE1-CG 3.74Å; F220-P232 HydrophobicContact CE2-CG 3.8Å; F220-P232 HydrophobicContact CG-CG 3.81Å; F220-P232 HydrophobicContact CZ-CG 3.76Å; F220-I233 HydrophobicContact CE1-CD1 4.05Å; F220-I233 HydrophobicContact CZ-CD1 3.96Å
221	V	98	Very high	95.3	Very high	77 Å²	77	58.4 Å²	58.4	47%	0.467	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	131.8	174.3	-177.6	0	0	0	0	108.5	D197 V203	D197-V221 WeakPolarHBondContact O-CA 3.48Å; V203-V221 HydrophobicContact CB-CG2 4.05Å; V203-V221 HydrophobicContact CG1-CG2 4.24Å; V203-V221 HydrophobicContact CG2-CG2 3.94Å
222	H	97.8	Very high	95.4	Very high	12 Å²	12	55.7 Å²	55.7	6%	0.056	30%	0.302	C	S	.	.			trans	-151.2	127.5	177.5	-161.6	76.6	0	0	0	111.1	C196 D197 F198 F220 F231	C196-H222 HydrophobicContact CB-CB 3.78Å; D197-H222 CarbonylContact C-O 3.57Å; D197-H222 PolarHBondContact O-N 2.93Å; F198-H222 WeakPolarHBondContact CA-O 3.4Å; F198-H222 PolarHBondContact N-O 2.9Å; F220-H222 HydrophobicContact CD2-CB 3.88Å; F220-H222 HydrophobicContact CE2-CB 3.65Å; F220-H222 AromaticContact CE2-CG 3.92Å; H222-F231 AromaticContact CD2-CE1 3.56Å; H222-F231 AromaticContact CD2-CZ 3.68Å; H222-F231 AromaticContact NE2-CD1 3.97Å; H222-F231 AromaticContact NE2-CE1 3.43Å; H222-F231 WeakPolarHBondContact NE2-CE1 3.31Å; H222-F231 AromaticContact NE2-CE2 3.56Å; H222-F231 AromaticContact NE2-CZ 3.19Å; H222-F231 WeakPolarHBondContact NE2-CZ 3.23Å
223	D	96.1	Very high	95.3	Very high	46 Å²	46	54.3 Å²	54.3	25%	0.246	30%	0.297	C	S	.	.			trans	-90.5	112.1	169.6	-174.5	-9.6	0	0	0	108.9	F198 S225 D226	F198-D223 HydrophobicContact CD2-CB 3.66Å; F198-D223 HydrophobicContact CE2-CB 3.64Å; F198-D223 WeakPolarHBondContact CE2-OD2 3.31Å; D223-S225 PolarHBondContact O-N 2.85Å; D223-S225 WeakPolarHBondContact OD1-CA 3.31Å; D223-S225 WeakPolarHBondContact OD1-CB 3.14Å; D223-S225 PolarHBondContact OD1-N 2.88Å; D223-S225 PolarHBondContact OD1-OG 2.97Å; D223-S225 PolarHBondContact OD2-OG 3.26Å; D223-S225 VanDerWaalsContact OD2-OG 3.13Å; D223-D226 HydrophobicContact CB-CB 4.01Å; D223-D226 PolarHBondContact O-N 2.79Å; D223-D226 VanDerWaalsContact O-N 3.16Å
224	L	95.6	Very high	95.3	Very high	12 Å²	12	53.9 Å²	53.9	6%	0.063	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-20.7	177.3	-73.1	178.7	0	0	0	113.6	V171 F231 V246 L250 S258 L262	V171-L224 HydrophobicContact CG1-CD1 3.23Å; V171-L224 HydrophobicContact CG1-CD2 3.69Å; V171-L224 HydrophobicContact CG1-CG 3.75Å; L224-F231 HydrophobicContact CD2-CZ 4.25Å; L224-V246 HydrophobicContact CD1-CG2 4.25Å; L224-L250 HydrophobicContact CB-CD1 4.45Å; L224-L250 HydrophobicContact CB-CD2 3.9Å; L224-L250 HydrophobicContact CD1-CD1 4.09Å; L224-L250 HydrophobicContact CD1-CD2 4.3Å; L224-S258 PolarHBondContact O-OG 3.02Å; L224-L262 HydrophobicContact CD2-CD1 4.33Å; L224-L262 HydrophobicContact CD2-CD2 4.29Å
225	S	91.9	Very high	95.4	Very high	34 Å²	34	53.9 Å²	53.9	24%	0.238	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-14.8	177.8	74.2	0	0	0	0	113.3	D223 V227	D223-S225 PolarHBondContact O-N 2.85Å; D223-S225 WeakPolarHBondContact OD1-CA 3.31Å; D223-S225 WeakPolarHBondContact OD1-CB 3.14Å; D223-S225 PolarHBondContact OD1-N 2.88Å; D223-S225 PolarHBondContact OD1-OG 2.97Å; D223-S225 PolarHBondContact OD2-OG 3.26Å; D223-S225 VanDerWaalsContact OD2-OG 3.13Å; S225-V227 PolarHBondContact O-N 2.63Å
226	D	93.3	Very high	95.5	Very high	70 Å²	70	49.2 Å²	49.2	37%	0.374	28%	0.282	S	S	.	.			trans	-80.7	104.6	175.2	-173.2	-9.1	0	0	0	110.2	D223 E228 A229 R261	D223-D226 HydrophobicContact CB-CB 4.01Å; D223-D226 PolarHBondContact O-N 2.79Å; D223-D226 VanDerWaalsContact O-N 3.16Å; D226-E228 PolarHBondContact O-N 2.92Å; D226-E228 PolarHBondContact OD1-N 3.13Å; D226-A229 HydrophobicContact CB-CB 3.89Å; D226-A229 PolarHBondContact O-N 3.31Å; D226-A229 PolarHBondContact OD1-N 2.8Å; D226-R261 PolarHBondContact O-NH2 3.47Å
227	V	89.5	Confident	95.6	Very high	78 Å²	78	47.4 Å²	47.4	47%	0.473	28%	0.276	S	S	.	.	S	Bend	trans	-74.6	-11.7	179.5	-62.4	0	0	0	0	113.3	S225 A257 R261	S225-V227 PolarHBondContact O-N 2.63Å; V227-A257 HydrophobicContact CG1-CB 4.35Å; V227-R261 PolarHBondContact O-NH1 2.96Å
228	E	90.6	Very high	95.6	Very high	165 Å²	165	47.4 Å²	47.4	77%	0.771	28%	0.276	S	S	*	.	S	Bend	trans	-96.9	-19	177.1	-58.2	-57.6	131.5	0	0	111.9	D226 S230	D226-E228 PolarHBondContact O-N 2.92Å; D226-E228 PolarHBondContact OD1-N 3.13Å; E228-S230 PolarHBondContact O-N 2.91Å
229	A	91.7	Very high	95.6	Very high	22 Å²	22	46 Å²	46	18%	0.182	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-62.1	133.9	178.6	0	0	0	0	0	111.7	D226 R261	D226-A229 HydrophobicContact CB-CB 3.89Å; D226-A229 PolarHBondContact O-N 3.31Å; D226-A229 PolarHBondContact OD1-N 2.8Å; A229-R261 PolarHBondContact O-NH2 2.87Å
230	S	92.7	Very high	95.6	Very high	103 Å²	103	46 Å²	46	72%	0.72	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-91.9	144.2	173.9	59.8	0	0	0	0	111.5	E228	E228-S230 PolarHBondContact O-N 2.91Å
231	F	96.5	Very high	95.7	Very high	29 Å²	29	45.2 Å²	45.2	13%	0.127	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-76.8	143.4	166.2	-71.4	-88.3	0	0	0	110.3	L169 F220 H222 L224 I233 L262 L265	L169-F231 HydrophobicContact CD2-CD1 4.41Å; L169-F231 HydrophobicContact CD2-CE1 4.21Å; F220-F231 HydrophobicContact CE2-CD1 4.21Å; F220-F231 HydrophobicContact CZ-CD1 4.11Å; H222-F231 AromaticContact CD2-CE1 3.56Å; H222-F231 AromaticContact CD2-CZ 3.68Å; H222-F231 AromaticContact NE2-CD1 3.97Å; H222-F231 AromaticContact NE2-CE1 3.43Å; H222-F231 WeakPolarHBondContact NE2-CE1 3.31Å; H222-F231 AromaticContact NE2-CE2 3.56Å; H222-F231 AromaticContact NE2-CZ 3.19Å; H222-F231 WeakPolarHBondContact NE2-CZ 3.23Å; L224-F231 HydrophobicContact CD2-CZ 4.25Å; F231-I233 HydrophobicContact CB-CD1 4.32Å; F231-I233 PolarHBondContact O-N 2.86Å; F231-L262 HydrophobicContact CE1-CD2 4.12Å; F231-L262 HydrophobicContact CZ-CD2 3.75Å; F231-L265 HydrophobicContact CB-CD1 4.33Å; F231-L265 HydrophobicContact CB-CD2 4.11Å; F231-L265 HydrophobicContact CD1-CD1 3.81Å; F231-L265 HydrophobicContact CD2-CD1 3.75Å; F231-L265 HydrophobicContact CD2-CD2 4.09Å; F231-L265 HydrophobicContact CD2-CG 4.33Å; F231-L265 HydrophobicContact CE1-CD1 3.99Å; F231-L265 HydrophobicContact CE2-CD1 3.92Å; F231-L265 HydrophobicContact CG-CD1 3.68Å; F231-L265 HydrophobicContact CG-CD2 4.18Å; F231-L265 HydrophobicContact CZ-CD1 4.04Å
232	P	95.8	Very high	95.7	Very high	46 Å²	46	41.6 Å²	41.6	30%	0.299	25%	0.246	S	C	.	.	S	Bend	trans	-75.3	24.2	172.8	33.8	-36.8	0	0	0	112.5	F218 F220	F218-P232 HydrophobicContact CD1-CG 4.22Å; F218-P232 HydrophobicContact CE1-CB 3.97Å; F218-P232 HydrophobicContact CE1-CG 3.84Å; F220-P232 HydrophobicContact CD1-CG 3.76Å; F220-P232 HydrophobicContact CD2-CG 3.82Å; F220-P232 HydrophobicContact CE1-CG 3.74Å; F220-P232 HydrophobicContact CE2-CG 3.8Å; F220-P232 HydrophobicContact CG-CG 3.81Å; F220-P232 HydrophobicContact CZ-CG 3.76Å
233	I	95.4	Very high	95.7	Very high	6 Å²	6	41 Å²	41	3%	0.031	24%	0.243	C	C	.	.	S	Bend	trans	-138	135.3	-176.8	-51.9	102.8	0	0	0	107.5	Y194 F220 F231 S237 L238	Y194-I233 HydrophobicContact CD1-CD1 3.64Å; Y194-I233 HydrophobicContact CD1-CG1 3.41Å; Y194-I233 VanDerWaalsContact CD1-CG1 3.41Å; Y194-I233 HydrophobicContact CD2-CD1 4.39Å; Y194-I233 HydrophobicContact CD2-CG1 3.94Å; Y194-I233 HydrophobicContact CE1-CD1 4.01Å; Y194-I233 HydrophobicContact CE1-CG1 3.24Å; Y194-I233 HydrophobicContact CE2-CG1 3.79Å; Y194-I233 HydrophobicContact CE2-CG2 4.2Å; Y194-I233 HydrophobicContact CG-CD1 3.82Å; Y194-I233 HydrophobicContact CG-CG1 3.73Å; F220-I233 HydrophobicContact CE1-CD1 4.05Å; F220-I233 HydrophobicContact CZ-CD1 3.96Å; F231-I233 HydrophobicContact CB-CD1 4.32Å; F231-I233 PolarHBondContact O-N 2.86Å; I233-S237 WeakPolarHBondContact CG2-OG 3.01Å; I233-L238 HydrophobicContact CG2-CD2 3.98Å; I233-L238 HydrophobicContact CG2-CG 4.21Å
234	P	96.3	Very high	95.8	Very high	53 Å²	53	39 Å²	39	34%	0.344	23%	0.233	S	C	.	.			trans	-65.6	154.4	176.2	-20	32.3	0	0	0	113.3	F159 S237	F159-P234 HydrophobicContact CD1-CG 3.54Å; F159-P234 HydrophobicContact CD2-CG 4.48Å; F159-P234 HydrophobicContact CE1-CG 3.46Å; F159-P234 VanDerWaalsContact CE1-CG 3.46Å; F159-P234 HydrophobicContact CE2-CG 4.39Å; F159-P234 HydrophobicContact CG-CG 4.1Å; F159-P234 HydrophobicContact CZ-CG 3.91Å; P234-S237 WeakPolarHBondContact O-CB 3.34Å; P234-S237 PolarHBondContact O-OG 3.42Å
235	D	97.3	Very high	95.9	Very high	122 Å²	122	41.1 Å²	41.1	65%	0.652	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	151.2	167.7	-74.3	1.1	0	0	0	111.7	S237 L265	D235-S237 VanDerWaalsContact C-N 3.26Å; D235-S237 PolarHBondContact O-N 2.81Å; D235-L265 WeakPolarHBondContact OD1-CD2 3.49Å
236	G	98	Very high	96.2	Very high	35 Å²	35	40.3 Å²	40.3	36%	0.361	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	28.5	175.2	0	0	0	0	0	114.5	G264 L265 L266 K267	G236-G264 PolarHBondContact N-O 2.96Å; G236-L265 PolarHBondContact N-O 2.78Å; G236-L266 WeakPolarHBondContact CA-O 3.31Å; G236-K267 WeakPolarHBondContact O-CG 3.47Å
237	S	97.8	Very high	96.4	Very high	10 Å²	10	37 Å²	37	7%	0.07	22%	0.218	C	C	.	.			trans	-127	-6.3	-170.6	79.2	0	0	0	0	115.4	R167 I233 P234 D235 L265 K267	R167-S237 PolarHBondContact NH1-O 3Å; I233-S237 WeakPolarHBondContact CG2-OG 3.01Å; P234-S237 WeakPolarHBondContact O-CB 3.34Å; P234-S237 PolarHBondContact O-OG 3.42Å; D235-S237 VanDerWaalsContact C-N 3.26Å; D235-S237 PolarHBondContact O-N 2.81Å; S237-L265 PolarHBondContact N-O 3.34Å; S237-K267 VanDerWaalsContact C-CE 3.46Å; S237-K267 WeakPolarHBondContact O-CE 3.02Å
238	L	98.6	Very high	96.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	140.8	176.7	-64.5	178.8	0	0	0	112.2	R167 L169 Y194 I233 I241 L265 L266 K267	R167-L238 HydrophobicContact CB-CD2 3.82Å; L169-L238 HydrophobicContact CB-CD1 3.57Å; L169-L238 HydrophobicContact CB-CD2 4.38Å; L169-L238 HydrophobicContact CD2-CD1 3.88Å; L169-L238 HydrophobicContact CG-CD1 4.38Å; Y194-L238 HydrophobicContact CD2-CD2 3.9Å; Y194-L238 HydrophobicContact CE2-CD2 3.95Å; I233-L238 HydrophobicContact CG2-CD2 3.98Å; I233-L238 HydrophobicContact CG2-CG 4.21Å; L238-I241 HydrophobicContact CB-CG1 4.41Å; L238-I241 HydrophobicContact CD1-CD1 3.93Å; L238-I241 HydrophobicContact CD1-CG1 3.74Å; L238-L265 WeakPolarHBondContact CB-O 3.35Å; L238-L265 HydrophobicContact CD1-CB 3.75Å; L238-L265 HydrophobicContact CD1-CD1 4.12Å; L238-L265 HydrophobicContact CG-CB 4.32Å; L238-L265 PolarHBondContact N-O 2.86Å; L238-L266 HydrophobicContact CB-CD2 4.37Å; L238-L266 WeakPolarHBondContact O-CA 3.4Å; L238-K267 PolarHBondContact O-N 2.88Å
239	D	98.6	Very high	97.2	Very high	30 Å²	30	26.1 Å²	26.1	16%	0.16	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-37.1	174.6	-57.8	-82.7	0	0	0	111.1	Y166 R167 K267 G270 V271	Y166-D239 WeakPolarHBondContact CA-OD2 3.24Å; Y166-D239 HydrophobicContact CD2-CB 3.62Å; Y166-D239 HydrophobicContact CE2-CB 3.45Å; Y166-D239 VanDerWaalsContact CE2-CB 3.45Å; Y166-D239 HydrophobicContact CG-CB 4.33Å; R167-D239 PolarHBondContact N-OD2 3.47Å; R167-D239 PolarHBondContact O-N 3.2Å; D239-K267 WeakPolarHBondContact OD1-CD 3.45Å; D239-K267 IonicContact OD1-NZ 3.03Å; D239-K267 PolarHBondContact OD1-NZ 3.45Å; D239-K267 IonicContact OD2-NZ 3.52Å; D239-K267 PolarHBondContact OD2-NZ 2.98Å; D239-G270 CarbonylContact O-C 3.58Å; D239-G270 VanDerWaalsContact O-CA 3.27Å; D239-G270 WeakPolarHBondContact O-CA 3.38Å; D239-V271 PolarHBondContact O-N 2.83Å
240	V	98.8	Very high	97.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	137	-179.5	-173.6	0	0	0	0	111.3	E115 L116 Y166 R167 I168 L169 V242 V271 L273	E115-V240 HydrophobicContact CB-CG2 4.42Å; L116-V240 HydrophobicContact CD2-CG1 3.82Å; Y166-V240 HydrophobicContact CE1-CG2 4.24Å; Y166-V240 VanDerWaalsContact OH-CG2 3.24Å; Y166-V240 WeakPolarHBondContact OH-CG2 3.37Å; R167-V240 PolarHBondContact O-N 3.05Å; I168-V240 CarbonylContact C-O 3.55Å; I168-V240 VanDerWaalsContact CA-O 3.31Å; I168-V240 WeakPolarHBondContact CA-O 3.42Å; I168-V240 HydrophobicContact CG1-CB 4.18Å; I168-V240 HydrophobicContact CG2-CB 4.24Å; I168-V240 HydrophobicContact CG2-CG1 4.45Å; L169-V240 PolarHBondContact N-O 2.61Å; V240-V242 HydrophobicContact CG1-CG2 3.87Å; V240-V271 CarbonylContact C-O 3.5Å; V240-V271 VanDerWaalsContact CA-O 3.31Å; V240-V271 WeakPolarHBondContact CA-O 3.48Å; V240-V271 HydrophobicContact CB-CG2 4.41Å; V240-V271 HydrophobicContact CG1-CG2 4.2Å; V240-V271 HydrophobicContact CG2-CG2 3.9Å; V240-L273 HydrophobicContact CG1-CD1 3.69Å; V240-L273 HydrophobicContact CG1-CG 3.99Å
241	I	98.9	Very high	97.7	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.4	165.1	-62.7	174.1	0	0	0	108.4	L169 V171 L238 L243 L262 L265 L266 V271 M272 L273	L169-I241 HydrophobicContact CB-CG1 4.28Å; L169-I241 CarbonylContact O-C 3.49Å; L169-I241 WeakPolarHBondContact O-CA 3.39Å; V171-I241 HydrophobicContact CG2-CG2 3.97Å; L238-I241 HydrophobicContact CB-CG1 4.41Å; L238-I241 HydrophobicContact CD1-CD1 3.93Å; L238-I241 HydrophobicContact CD1-CG1 3.74Å; I241-L243 HydrophobicContact CG2-CD1 3.91Å; I241-L262 HydrophobicContact CD1-CB 4.06Å; I241-L262 HydrophobicContact CD1-CD2 4.45Å; I241-L262 WeakPolarHBondContact CD1-O 3.49Å; I241-L262 HydrophobicContact CG2-CD2 4.37Å; I241-L265 HydrophobicContact CD1-CB 4.12Å; I241-L266 HydrophobicContact CB-CD2 4.37Å; I241-L266 HydrophobicContact CD1-CD1 4.47Å; I241-L266 HydrophobicContact CD1-CD2 3.82Å; I241-L266 HydrophobicContact CD1-CG 3.72Å; I241-L266 HydrophobicContact CG1-CD2 3.71Å; I241-L266 HydrophobicContact CG1-CG 4.19Å; I241-V271 PolarHBondContact N-O 3.47Å; I241-M272 HydrophobicContact CB-CG 4.19Å; I241-M272 HydrophobicContact CD1-CE 4.16Å; I241-M272 HydrophobicContact CG2-CG 4.26Å; I241-M272 CarbonylContact O-C 3.57Å; I241-M272 WeakPolarHBondContact O-CA 3.11Å; I241-L273 PolarHBondContact O-N 3.18Å
242	V	98.6	Very high	97.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	127.3	-177.5	-175	0	0	0	0	110.2	L116 I168 L169 V171 V240 I244 L273	L116-V242 HydrophobicContact CD1-CG2 4.17Å; L116-V242 HydrophobicContact CD2-CG2 3.59Å; L116-V242 HydrophobicContact CG-CG2 4.48Å; I168-V242 HydrophobicContact CG2-CG2 4.18Å; L169-V242 PolarHBondContact O-N 3.39Å; V171-V242 PolarHBondContact N-O 3.41Å; V240-V242 HydrophobicContact CG1-CG2 3.87Å; V242-I244 HydrophobicContact CG1-CD1 3.53Å; V242-I244 HydrophobicContact CG1-CG1 3.69Å; V242-L273 CarbonylContact C-O 3.49Å; V242-L273 WeakPolarHBondContact CA-O 3.41Å; V242-L273 HydrophobicContact CG2-CD1 4.34Å
243	L	98.7	Very high	97.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	98.7	175.2	-61.6	99.1	0	0	0	109.3	V171 I241 V246 L247 I259 L262 M272 L273 L274 R275	V171-L243 HydrophobicContact CB-CG 4.39Å; I241-L243 HydrophobicContact CG2-CD1 3.91Å; L243-V246 HydrophobicContact CB-CG1 3.66Å; L243-V246 HydrophobicContact CD2-CG1 3.99Å; L243-V246 HydrophobicContact CG-CG1 4.1Å; L243-L247 HydrophobicContact CD2-CB 4.5Å; L243-I259 HydrophobicContact CD2-CD1 4.05Å; L243-L262 HydrophobicContact CD2-CD1 3.88Å; L243-M272 HydrophobicContact CD1-CG 3.39Å; L243-M272 HydrophobicContact CD1-SD 3.61Å; L243-L273 PolarHBondContact N-O 3.25Å; L243-L274 HydrophobicContact CB-CB 4.3Å; L243-L274 HydrophobicContact CB-CD1 4.2Å; L243-L274 HydrophobicContact CB-CG 4.33Å; L243-L274 CarbonylContact O-C 3.57Å; L243-L274 VanDerWaalsContact O-CA 3.24Å; L243-L274 WeakPolarHBondContact O-CA 3.31Å; L243-R275 PolarHBondContact O-N 2.61Å
244	I	97.9	Very high	97.8	Very high	5 Å²	5	29 Å²	29	3%	0.026	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	110.2	178.7	-66.5	165.9	0	0	0	108.9	W108 L109 F113 T178 V242 V246 R275	W108-I244 HydrophobicContact CH2-CD1 3.93Å; W108-I244 HydrophobicContact CH2-CG1 4.32Å; W108-I244 HydrophobicContact CH2-CG2 4.07Å; W108-I244 HydrophobicContact CZ2-CG2 4.41Å; W108-I244 HydrophobicContact CZ3-CD1 4.48Å; L109-I244 HydrophobicContact CD1-CD1 3.89Å; F113-I244 HydrophobicContact CD2-CD1 4.42Å; F113-I244 HydrophobicContact CE2-CD1 4.1Å; F113-I244 HydrophobicContact CE2-CG1 4.16Å; T178-I244 HydrophobicContact CG2-CD1 3.9Å; V242-I244 HydrophobicContact CG1-CD1 3.53Å; V242-I244 HydrophobicContact CG1-CG1 3.69Å; I244-V246 VanDerWaalsContact C-N 3.27Å; I244-V246 PolarHBondContact O-N 3.32Å; I244-R275 CarbonylContact C-O 3.59Å; I244-R275 WeakPolarHBondContact CA-O 3.44Å; I244-R275 HydrophobicContact CG1-CB 4.42Å
245	F	97.1	Very high	97.9	Very high	56 Å²	56	26.7 Å²	26.7	25%	0.246	15%	0.15	C	C	.	.	S	Bend	trans	55.5	34.9	-178.8	-58.1	-63	0	0	0	114.9	R275 Y277 W348	F245-R275 PolarHBondContact N-O 3.25Å; F245-Y277 HydrophobicContact CB-CE2 4.5Å; F245-Y277 HydrophobicContact CD1-CD1 4.39Å; F245-Y277 HydrophobicContact CD1-CD2 4.03Å; F245-Y277 HydrophobicContact CD1-CE1 4.04Å; F245-Y277 AromaticContact CD1-CE2 3.67Å; F245-Y277 HydrophobicContact CD1-CE2 3.67Å; F245-Y277 HydrophobicContact CD1-CG 4.39Å; F245-Y277 AromaticContact CD1-CZ 3.66Å; F245-Y277 HydrophobicContact CE1-CD1 4.16Å; F245-Y277 AromaticContact CE1-CE1 3.92Å; F245-Y277 HydrophobicContact CE1-CE1 3.92Å; F245-Y277 HydrophobicContact CE1-CE2 4.35Å; F245-Y277 HydrophobicContact CE1-CG 4.47Å; F245-Y277 HydrophobicContact CG-CE2 4.45Å; F245-W348 AromaticContact CE1-CD1 3.48Å; F245-W348 VanDerWaalsContact CE1-CD1 3.48Å; F245-W348 AromaticContact CE1-NE1 3.56Å; F245-W348 AromaticContact CZ-CD1 3.68Å; F245-W348 AromaticContact CZ-NE1 3.53Å
246	V	98	Very high	98	Very high	17 Å²	17	23 Å²	23	10%	0.103	13%	0.129	C	C	.	.			trans	-114.5	-40.4	-178.4	66.4	0	0	0	0	112.9	V171 L224 L243 I244 S248 A249 L250 D276	V171-V246 HydrophobicContact CB-CG1 4.48Å; V171-V246 HydrophobicContact CG1-CG1 4.3Å; V171-V246 HydrophobicContact CG1-CG2 4.24Å; V171-V246 WeakPolarHBondContact O-CG1 3.49Å; L224-V246 HydrophobicContact CD1-CG2 4.25Å; L243-V246 HydrophobicContact CB-CG1 3.66Å; L243-V246 HydrophobicContact CD2-CG1 3.99Å; L243-V246 HydrophobicContact CG-CG1 4.1Å; I244-V246 VanDerWaalsContact C-N 3.27Å; I244-V246 PolarHBondContact O-N 3.32Å; V246-S248 PolarHBondContact O-N 2.86Å; V246-A249 WeakPolarHBondContact O-CB 3.19Å; V246-A249 PolarHBondContact O-N 3.23Å; V246-L250 WeakPolarHBondContact O-CD1 3.41Å; V246-D276 PolarHBondContact N-OD2 3.47Å
247	L	98.3	Very high	98	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-65.1	-36.3	-175.3	-171.2	64.8	0	0	0	110.1	L243 A249 L250 M255 I259 L274 D276 F309 L314 L317	L243-L247 HydrophobicContact CD2-CB 4.5Å; L247-A249 PolarHBondContact O-N 3.42Å; L247-A249 VanDerWaalsContact O-N 3.13Å; L247-L250 HydrophobicContact CD1-CD2 4.4Å; L247-L250 PolarHBondContact O-N 3.48Å; L247-L250 VanDerWaalsContact O-N 3.14Å; L247-M255 HydrophobicContact CD1-CB 4.07Å; L247-M255 HydrophobicContact CD1-CG 3.95Å; L247-M255 HydrophobicContact CG-CG 4.28Å; L247-M255 HydrophobicContact CG-SD 4.29Å; L247-M255 WeakPolarHBondContact O-CE 3.43Å; L247-I259 HydrophobicContact CD1-CD1 4.03Å; L247-I259 HydrophobicContact CD1-CG1 4.18Å; L247-I259 HydrophobicContact CD2-CD1 4.11Å; L247-I259 HydrophobicContact CD2-CG1 4.37Å; L247-L274 HydrophobicContact CB-CD1 4.03Å; L247-L274 HydrophobicContact CD2-CD1 3.63Å; L247-L274 HydrophobicContact CG-CD1 4.49Å; L247-D276 PolarHBondContact N-OD2 2.99Å; L247-F309 HydrophobicContact CB-CE2 4.48Å; L247-F309 HydrophobicContact CB-CZ 4.26Å; L247-F309 HydrophobicContact CD2-CE1 4.32Å; L247-F309 HydrophobicContact CD2-CZ 3.99Å; L247-F309 HydrophobicContact CG-CZ 3.87Å; L247-L314 HydrophobicContact CD2-CD2 3.89Å; L247-L317 HydrophobicContact CD2-CD1 4.36Å
248	S	98.3	Very high	98	Very high	3 Å²	3	23 Å²	23	2%	0.021	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-61.2	-18.2	174.2	56.5	0	0	0	0	114.7	V246 L250 D276 Y277 V306 Y307	V246-S248 PolarHBondContact O-N 2.86Å; S248-L250 VanDerWaalsContact C-N 3.34Å; S248-D276 WeakPolarHBondContact CB-OD1 3.36Å; S248-D276 PolarHBondContact N-OD2 3.29Å; S248-D276 VanDerWaalsContact OG-CG 3.29Å; S248-D276 PolarHBondContact OG-OD1 2.98Å; S248-D276 PolarHBondContact OG-OD2 3.38Å; S248-Y277 WeakPolarHBondContact OG-CD2 3.18Å; S248-V306 CarbonylContact O-C 3.52Å; S248-V306 VanDerWaalsContact O-CA 3.24Å; S248-V306 WeakPolarHBondContact O-CA 3.34Å; S248-Y307 WeakPolarHBondContact CB-O 3.32Å; S248-Y307 PolarHBondContact O-N 3.24Å
249	A	97.7	Very high	98	Very high	11 Å²	11	23 Å²	23	9%	0.091	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-82.3	-14.4	178.6	0	0	0	0	0	113.3	W91 V246 L247 R305	W91-A249 HydrophobicContact CZ2-CB 3.85Å; V246-A249 WeakPolarHBondContact O-CB 3.19Å; V246-A249 PolarHBondContact O-N 3.23Å; L247-A249 PolarHBondContact O-N 3.42Å; L247-A249 VanDerWaalsContact O-N 3.13Å; A249-R305 PolarHBondContact O-NE 2.92Å; A249-R305 PolarHBondContact O-NH2 2.95Å
250	L	97.5	Very high	98	Very high	14 Å²	14	24 Å²	24	7%	0.073	14%	0.135	C	C	.	.	S	Bend	trans	-80.6	155.9	178.5	-83	67.5	0	0	0	111	L224 V246 L247 S248 M255 S258 F297	L224-L250 HydrophobicContact CB-CD1 4.45Å; L224-L250 HydrophobicContact CB-CD2 3.9Å; L224-L250 HydrophobicContact CD1-CD1 4.09Å; L224-L250 HydrophobicContact CD1-CD2 4.3Å; V246-L250 WeakPolarHBondContact O-CD1 3.41Å; L247-L250 HydrophobicContact CD1-CD2 4.4Å; L247-L250 PolarHBondContact O-N 3.48Å; L247-L250 VanDerWaalsContact O-N 3.14Å; S248-L250 VanDerWaalsContact C-N 3.34Å; L250-M255 HydrophobicContact CB-CE 4.48Å; L250-M255 HydrophobicContact CB-CG 4.15Å; L250-M255 VanDerWaalsContact O-CE 3.26Å; L250-M255 WeakPolarHBondContact O-CE 3.36Å; L250-S258 VanDerWaalsContact CD2-OG 3.28Å; L250-S258 WeakPolarHBondContact CD2-OG 3.35Å; L250-F297 VanDerWaalsContact O-CE2 3.28Å; L250-F297 WeakPolarHBondContact O-CE2 3.43Å; L250-F297 WeakPolarHBondContact O-CZ 3.37Å
251	H	97.2	Very high	97.9	Very high	24 Å²	24	27.2 Å²	27.2	11%	0.111	15%	0.148	C	C	.	.			trans	-68.2	138.7	166.6	-168.1	-85.4	0	0	0	109.3	D253 Q254 F297	H251-D253 VanDerWaalsContact C-N 3.27Å; H251-D253 IonicContact CE1-OD1 2.84Å; H251-D253 IonicContact CE1-OD2 3.28Å; H251-D253 PolarHBondContact CE1-OD2 2.79Å; H251-D253 PolarHBondContact ND1-N 2.8Å; H251-D253 IonicContact ND1-OD1 3.84Å; H251-D253 IonicContact ND1-OD2 2.8Å; H251-D253 PolarHBondContact O-N 3.41Å; H251-Q254 HydrophobicContact CB-CG 4.15Å; H251-Q254 WeakPolarHBondContact O-CB 3.43Å; H251-Q254 PolarHBondContact O-N 2.95Å; H251-F297 HydrophobicContact CB-CE1 4.46Å; H251-F297 AromaticContact CD2-CE1 3.72Å
252	P	97.4	Very high	97.9	Very high	32 Å²	32	27.2 Å²	27.2	21%	0.208	15%	0.148	C	C	.	.	H	α-helix	trans	-49.6	-44.3	-179	-31.8	38.1	0	0	0	114.3	Q254 M255 F297 Y307	P252-Q254 PolarHBondContact O-N 3.01Å; P252-M255 HydrophobicContact CB-CE 4.5Å; P252-M255 HydrophobicContact CG-CE 4.26Å; P252-M255 WeakPolarHBondContact O-CB 3.39Å; P252-M255 PolarHBondContact O-N 3.43Å; P252-F297 HydrophobicContact CG-CB 4.37Å; P252-F297 HydrophobicContact CG-CG 4.34Å; P252-Y307 HydrophobicContact CB-CE2 4.34Å; P252-Y307 HydrophobicContact CG-CD2 3.54Å; P252-Y307 HydrophobicContact CG-CE2 3.56Å
253	D	96.7	Very high	97.9	Very high	136 Å²	136	27.5 Å²	27.5	73%	0.727	15%	0.15	S	C	*	.	H	α-helix	trans	-60	-19.2	179.2	-54.8	-2.3	0	0	0	114.4	H251	H251-D253 VanDerWaalsContact C-N 3.27Å; H251-D253 IonicContact CE1-OD1 2.84Å; H251-D253 IonicContact CE1-OD2 3.28Å; H251-D253 PolarHBondContact CE1-OD2 2.79Å; H251-D253 PolarHBondContact ND1-N 2.8Å; H251-D253 IonicContact ND1-OD1 3.84Å; H251-D253 IonicContact ND1-OD2 2.8Å; H251-D253 PolarHBondContact O-N 3.41Å
254	Q	97	Very high	97.9	Very high	61 Å²	61	28.6 Å²	28.6	29%	0.285	16%	0.161	S	C	.	.	H	α-helix	trans	-93.7	-20.3	-179.2	-61.3	167.8	-13.8	0	0	112	H251 P252 Q256 A257 S258	H251-Q254 HydrophobicContact CB-CG 4.15Å; H251-Q254 WeakPolarHBondContact O-CB 3.43Å; H251-Q254 PolarHBondContact O-N 2.95Å; P252-Q254 PolarHBondContact O-N 3.01Å; Q254-Q256 PolarHBondContact O-N 3.13Å; Q254-A257 PolarHBondContact O-N 3.03Å; Q254-S258 PolarHBondContact O-N 2.89Å; Q254-S258 VanDerWaalsContact O-N 3.07Å; Q254-S258 PolarHBondContact O-OG 3.39Å
255	M	98.1	Very high	97.9	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.02	16%	0.16	C	C	.	.	H	α-helix	trans	-63	-44.5	-168.8	-65.2	179.2	-173.9	0	0	112.7	L247 L250 P252 A257 S258 I259 Y307 F309 L317	L247-M255 HydrophobicContact CD1-CB 4.07Å; L247-M255 HydrophobicContact CD1-CG 3.95Å; L247-M255 HydrophobicContact CG-CG 4.28Å; L247-M255 HydrophobicContact CG-SD 4.29Å; L247-M255 WeakPolarHBondContact O-CE 3.43Å; L250-M255 HydrophobicContact CB-CE 4.48Å; L250-M255 HydrophobicContact CB-CG 4.15Å; L250-M255 VanDerWaalsContact O-CE 3.26Å; L250-M255 WeakPolarHBondContact O-CE 3.36Å; P252-M255 HydrophobicContact CB-CE 4.5Å; P252-M255 HydrophobicContact CG-CE 4.26Å; P252-M255 WeakPolarHBondContact O-CB 3.39Å; P252-M255 PolarHBondContact O-N 3.43Å; M255-A257 PolarHBondContact O-N 3.18Å; M255-S258 PolarHBondContact O-N 2.83Å; M255-I259 WeakPolarHBondContact O-CG1 3.19Å; M255-I259 PolarHBondContact O-N 2.91Å; M255-Y307 HydrophobicContact CE-CD1 4.31Å; M255-Y307 HydrophobicContact CE-CD2 4.34Å; M255-Y307 HydrophobicContact CE-CG 3.89Å; M255-F309 HydrophobicContact CE-CE1 4.09Å; M255-F309 HydrophobicContact CE-CZ 3.77Å; M255-F309 HydrophobicContact SD-CE1 3.53Å; M255-F309 VanDerWaalsContact SD-CE1 3.53Å; M255-F309 HydrophobicContact SD-CZ 3.66Å; M255-L317 HydrophobicContact CB-CD1 4.28Å; M255-L317 HydrophobicContact CB-CD2 4.18Å
256	Q	98.3	Very high	98	Very high	45 Å²	45	25.8 Å²	25.8	21%	0.21	15%	0.149	C	C	.	.	H	α-helix	trans	-61.1	-47.4	-178.9	-175.3	60.2	59.4	0	0	111.5	Q254 S258 I259 S260 L317 E320	Q254-Q256 PolarHBondContact O-N 3.13Å; Q256-S258 VanDerWaalsContact C-N 3.34Å; Q256-S258 PolarHBondContact O-N 2.79Å; Q256-I259 PolarHBondContact O-N 3.23Å; Q256-S260 PolarHBondContact NE2-OG 2.92Å; Q256-S260 WeakPolarHBondContact O-CB 3.43Å; Q256-S260 PolarHBondContact O-N 2.85Å; Q256-S260 PolarHBondContact O-OG 2.82Å; Q256-S260 VanDerWaalsContact O-OG 3.08Å; Q256-L317 HydrophobicContact CB-CD2 4Å; Q256-L317 PolarHBondContact NE2-O 3.36Å; Q256-L317 VanDerWaalsContact OE1-CA 3.32Å; Q256-E320 PolarHBondContact OE1-OE2 3.15Å
257	A	97.9	Very high	98	Very high	42 Å²	42	27.1 Å²	27.1	35%	0.347	15%	0.153	S	C	.	.	H	α-helix	trans	-61.8	-42.8	178.4	0	0	0	0	0	111.5	V227 Q254 M255 S260 R261	V227-A257 HydrophobicContact CG1-CB 4.35Å; Q254-A257 PolarHBondContact O-N 3.03Å; M255-A257 PolarHBondContact O-N 3.18Å; A257-S260 PolarHBondContact O-N 2.91Å; A257-R261 WeakPolarHBondContact O-CB 3.45Å; A257-R261 WeakPolarHBondContact O-CD 3.49Å; A257-R261 VanDerWaalsContact O-CG 3.28Å; A257-R261 WeakPolarHBondContact O-CG 3.46Å; A257-R261 PolarHBondContact O-N 2.82Å
258	S	98.1	Very high	98	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.021	18%	0.178	C	C	.	.	H	α-helix	trans	-62	-46.2	176.5	-55.4	0	0	0	0	112.1	L224 L250 Q254 M255 Q256 R261 L262	L224-S258 PolarHBondContact O-OG 3.02Å; L250-S258 VanDerWaalsContact CD2-OG 3.28Å; L250-S258 WeakPolarHBondContact CD2-OG 3.35Å; Q254-S258 PolarHBondContact O-N 2.89Å; Q254-S258 VanDerWaalsContact O-N 3.07Å; Q254-S258 PolarHBondContact O-OG 3.39Å; M255-S258 PolarHBondContact O-N 2.83Å; Q256-S258 VanDerWaalsContact C-N 3.34Å; Q256-S258 PolarHBondContact O-N 2.79Å; S258-R261 PolarHBondContact O-N 3.49Å; S258-L262 VanDerWaalsContact O-CG 3.3Å; S258-L262 WeakPolarHBondContact O-CG 3.43Å; S258-L262 PolarHBondContact O-N 3.39Å
259	I	98.5	Very high	98	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-65.8	-42.8	179	-65.4	-62.6	0	0	0	111.3	L243 L247 M255 Q256 R261 L262 A263 M272 F318 A321	L243-I259 HydrophobicContact CD2-CD1 4.05Å; L247-I259 HydrophobicContact CD1-CD1 4.03Å; L247-I259 HydrophobicContact CD1-CG1 4.18Å; L247-I259 HydrophobicContact CD2-CD1 4.11Å; L247-I259 HydrophobicContact CD2-CG1 4.37Å; M255-I259 WeakPolarHBondContact O-CG1 3.19Å; M255-I259 PolarHBondContact O-N 2.91Å; Q256-I259 PolarHBondContact O-N 3.23Å; I259-R261 VanDerWaalsContact C-N 3.32Å; I259-R261 PolarHBondContact O-N 2.92Å; I259-L262 PolarHBondContact O-N 2.97Å; I259-A263 WeakPolarHBondContact O-CB 3.31Å; I259-A263 PolarHBondContact O-N 2.82Å; I259-M272 HydrophobicContact CD1-SD 4.09Å; I259-M272 HydrophobicContact CG2-SD 4.45Å; I259-F318 HydrophobicContact CD1-CE1 4.19Å; I259-F318 HydrophobicContact CD1-CZ 4.45Å; I259-F318 HydrophobicContact CG2-CD1 3.96Å; I259-F318 HydrophobicContact CG2-CE1 4.3Å; I259-A321 HydrophobicContact CG2-CB 3.71Å
260	S	98.3	Very high	98	Very high	50 Å²	50	31.7 Å²	31.7	35%	0.35	19%	0.188	S	C	.	.	H	α-helix	trans	-60.4	-40.2	176.8	-64.5	0	0	0	0	112.4	Q256 A257 A263 G264	Q256-S260 PolarHBondContact NE2-OG 2.92Å; Q256-S260 WeakPolarHBondContact O-CB 3.43Å; Q256-S260 PolarHBondContact O-N 2.85Å; Q256-S260 PolarHBondContact O-OG 2.82Å; Q256-S260 VanDerWaalsContact O-OG 3.08Å; A257-S260 PolarHBondContact O-N 2.91Å; S260-A263 PolarHBondContact O-N 2.96Å; S260-G264 PolarHBondContact O-N 3.23Å; S260-G264 VanDerWaalsContact O-N 3.14Å
261	R	97.8	Very high	98.1	Very high	68 Å²	68	31.6 Å²	31.6	26%	0.257	19%	0.187	S	C	.	.	H	α-helix	trans	-66.1	-46	175.5	-73.3	164.9	55.6	94	-3.6	112.1	D226 V227 A229 A257 S258 I259 A263 G264 L265	D226-R261 PolarHBondContact O-NH2 3.47Å; V227-R261 PolarHBondContact O-NH1 2.96Å; A229-R261 PolarHBondContact O-NH2 2.87Å; A257-R261 WeakPolarHBondContact O-CB 3.45Å; A257-R261 WeakPolarHBondContact O-CD 3.49Å; A257-R261 VanDerWaalsContact O-CG 3.28Å; A257-R261 WeakPolarHBondContact O-CG 3.46Å; A257-R261 PolarHBondContact O-N 2.82Å; S258-R261 PolarHBondContact O-N 3.49Å; I259-R261 VanDerWaalsContact C-N 3.32Å; I259-R261 PolarHBondContact O-N 2.92Å; R261-A263 VanDerWaalsContact C-N 3.28Å; R261-A263 PolarHBondContact O-N 2.88Å; R261-G264 WeakPolarHBondContact O-CA 3.46Å; R261-G264 PolarHBondContact O-N 3.27Å; R261-L265 PolarHBondContact O-N 3.04Å
262	L	98.5	Very high	98.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.6	-37.9	175.8	-68.5	173	0	0	0	111.5	L169 V171 L224 F231 I241 L243 S258 I259 G264 L265 M272	L169-L262 HydrophobicContact CD2-CD2 4.12Å; V171-L262 HydrophobicContact CG2-CD1 4.31Å; V171-L262 HydrophobicContact CG2-CD2 3.94Å; L224-L262 HydrophobicContact CD2-CD1 4.33Å; L224-L262 HydrophobicContact CD2-CD2 4.29Å; F231-L262 HydrophobicContact CE1-CD2 4.12Å; F231-L262 HydrophobicContact CZ-CD2 3.75Å; I241-L262 HydrophobicContact CD1-CB 4.06Å; I241-L262 HydrophobicContact CD1-CD2 4.45Å; I241-L262 WeakPolarHBondContact CD1-O 3.49Å; I241-L262 HydrophobicContact CG2-CD2 4.37Å; L243-L262 HydrophobicContact CD2-CD1 3.88Å; S258-L262 VanDerWaalsContact O-CG 3.3Å; S258-L262 WeakPolarHBondContact O-CG 3.43Å; S258-L262 PolarHBondContact O-N 3.39Å; I259-L262 PolarHBondContact O-N 2.97Å; L262-G264 PolarHBondContact O-N 3.13Å; L262-L265 HydrophobicContact CD2-CD1 4.12Å; L262-L265 WeakPolarHBondContact O-CB 3.24Å; L262-L265 PolarHBondContact O-N 3.45Å; L262-L265 VanDerWaalsContact O-N 3.13Å; L262-M272 HydrophobicContact CB-CE 3.51Å; L262-M272 HydrophobicContact CB-SD 4.38Å
263	A	98.6	Very high	98.2	Very high	5 Å²	5	28.9 Å²	28.9	4%	0.041	17%	0.172	C	C	.	.	H	α-helix	trans	-62.1	-32.5	174	0	0	0	0	0	112.4	I259 S260 R261 L265 L266 M272 A321 L323 K355	I259-A263 WeakPolarHBondContact O-CB 3.31Å; I259-A263 PolarHBondContact O-N 2.82Å; S260-A263 PolarHBondContact O-N 2.96Å; R261-A263 VanDerWaalsContact C-N 3.28Å; R261-A263 PolarHBondContact O-N 2.88Å; A263-L265 VanDerWaalsContact C-N 3.31Å; A263-L265 PolarHBondContact O-N 2.78Å; A263-L266 PolarHBondContact O-N 2.96Å; A263-M272 HydrophobicContact CB-CE 4.42Å; A263-A321 HydrophobicContact CB-CB 4.14Å; A263-L323 HydrophobicContact CB-CD1 3.99Å; A263-L323 HydrophobicContact CB-CD2 3.97Å; A263-L323 HydrophobicContact CB-CG 4.02Å; A263-K355 WeakPolarHBondContact O-CD 3.39Å; A263-K355 PolarHBondContact O-NZ 3.05Å
264	G	98.1	Very high	98.3	Very high	24 Å²	24	22.4 Å²	22.4	25%	0.247	14%	0.138	C	C	.	.	H	α-helix	trans	-58.2	-39.7	171.7	0	0	0	0	0	113.3	G236 S260 R261 L262 L266 K355	G236-G264 PolarHBondContact N-O 2.96Å; S260-G264 PolarHBondContact O-N 3.23Å; S260-G264 VanDerWaalsContact O-N 3.14Å; R261-G264 WeakPolarHBondContact O-CA 3.46Å; R261-G264 PolarHBondContact O-N 3.27Å; L262-G264 PolarHBondContact O-N 3.13Å; G264-L266 VanDerWaalsContact C-N 3.33Å; G264-L266 PolarHBondContact O-N 3.44Å; G264-K355 PolarHBondContact O-NZ 3.25Å
265	L	98.6	Very high	98.3	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-70.7	-23.9	-179.1	-57.5	175	0	0	0	114.2	L169 F231 D235 G236 S237 L238 I241 R261 L262 A263	L169-L265 HydrophobicContact CD2-CD1 4.03Å; F231-L265 HydrophobicContact CB-CD1 4.33Å; F231-L265 HydrophobicContact CB-CD2 4.11Å; F231-L265 HydrophobicContact CD1-CD1 3.81Å; F231-L265 HydrophobicContact CD2-CD1 3.75Å; F231-L265 HydrophobicContact CD2-CD2 4.09Å; F231-L265 HydrophobicContact CD2-CG 4.33Å; F231-L265 HydrophobicContact CE1-CD1 3.99Å; F231-L265 HydrophobicContact CE2-CD1 3.92Å; F231-L265 HydrophobicContact CG-CD1 3.68Å; F231-L265 HydrophobicContact CG-CD2 4.18Å; F231-L265 HydrophobicContact CZ-CD1 4.04Å; D235-L265 WeakPolarHBondContact OD1-CD2 3.49Å; G236-L265 PolarHBondContact N-O 2.78Å; S237-L265 PolarHBondContact N-O 3.34Å; L238-L265 WeakPolarHBondContact CB-O 3.35Å; L238-L265 HydrophobicContact CD1-CB 3.75Å; L238-L265 HydrophobicContact CD1-CD1 4.12Å; L238-L265 HydrophobicContact CG-CB 4.32Å; L238-L265 PolarHBondContact N-O 2.86Å; I241-L265 HydrophobicContact CD1-CB 4.12Å; R261-L265 PolarHBondContact O-N 3.04Å; L262-L265 HydrophobicContact CD2-CD1 4.12Å; L262-L265 WeakPolarHBondContact O-CB 3.24Å; L262-L265 PolarHBondContact O-N 3.45Å; L262-L265 VanDerWaalsContact O-N 3.13Å; A263-L265 VanDerWaalsContact C-N 3.31Å; A263-L265 PolarHBondContact O-N 2.78Å
266	L	98.8	Very high	98.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	137.8	179.2	-72	173.4	0	0	0	111.6	G236 L238 I241 A263 G264 M272 L323 K355	G236-L266 WeakPolarHBondContact CA-O 3.31Å; L238-L266 HydrophobicContact CB-CD2 4.37Å; L238-L266 WeakPolarHBondContact O-CA 3.4Å; I241-L266 HydrophobicContact CB-CD2 4.37Å; I241-L266 HydrophobicContact CD1-CD1 4.47Å; I241-L266 HydrophobicContact CD1-CD2 3.82Å; I241-L266 HydrophobicContact CD1-CG 3.72Å; I241-L266 HydrophobicContact CG1-CD2 3.71Å; I241-L266 HydrophobicContact CG1-CG 4.19Å; A263-L266 PolarHBondContact O-N 2.96Å; G264-L266 VanDerWaalsContact C-N 3.33Å; G264-L266 PolarHBondContact O-N 3.44Å; L266-M272 HydrophobicContact CD1-CB 4.21Å; L266-M272 HydrophobicContact CD1-CE 4.09Å; L266-L323 HydrophobicContact CD1-CD2 4.13Å; L266-K355 HydrophobicContact CB-CB 4.2Å; L266-K355 HydrophobicContact CB-CD 3.75Å; L266-K355 HydrophobicContact CD1-CB 4.43Å; L266-K355 WeakPolarHBondContact O-CD 3.47Å; L266-K355 WeakPolarHBondContact O-CE 3.37Å; L266-K355 PolarHBondContact O-NZ 3.29Å
267	K	98.1	Very high	98.3	Very high	45 Å²	45	19 Å²	19	20%	0.196	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	158.1	162.5	-65.4	172.1	-165.4	171.5	0	110.3	G236 S237 L238 D239 G269 G270	G236-K267 WeakPolarHBondContact O-CG 3.47Å; S237-K267 VanDerWaalsContact C-CE 3.46Å; S237-K267 WeakPolarHBondContact O-CE 3.02Å; L238-K267 PolarHBondContact O-N 2.88Å; D239-K267 WeakPolarHBondContact OD1-CD 3.45Å; D239-K267 IonicContact OD1-NZ 3.03Å; D239-K267 PolarHBondContact OD1-NZ 3.45Å; D239-K267 IonicContact OD2-NZ 3.52Å; D239-K267 PolarHBondContact OD2-NZ 2.98Å; K267-G269 PolarHBondContact O-N 3.19Å; K267-G270 WeakPolarHBondContact O-CA 3.41Å; K267-G270 PolarHBondContact O-N 3.27Å
268	P	98.4	Very high	98.3	Very high	81 Å²	81	17 Å²	17	53%	0.526	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.9	133.6	161.9	-21.2	32.3	0	0	0	110.6	G270 P356 C357	P268-G270 PolarHBondContact O-N 3.38Å; P268-P356 WeakPolarHBondContact CA-O 3.39Å; P268-C357 VanDerWaalsContact CB-OXT 3.27Å; P268-C357 WeakPolarHBondContact CB-OXT 3.24Å
269	G	98.3	Very high	98.2	Very high	26 Å²	26	18 Å²	18	27%	0.268	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	78.3	-9.7	-173.3	0	0	0	0	0	115.9	K267 K355	K267-G269 PolarHBondContact O-N 3.19Å; G269-K355 VanDerWaalsContact CA-O 3.26Å; G269-K355 WeakPolarHBondContact CA-O 3.32Å; G269-K355 PolarHBondContact N-O 3.48Å
270	G	98.5	Very high	98.1	Very high	5 Å²	5	20.4 Å²	20.4	5%	0.052	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	156.3	175.5	0	0	0	0	0	112.5	D239 K267 P268 R354 K355	D239-G270 CarbonylContact O-C 3.58Å; D239-G270 VanDerWaalsContact O-CA 3.27Å; D239-G270 WeakPolarHBondContact O-CA 3.38Å; K267-G270 WeakPolarHBondContact O-CA 3.41Å; K267-G270 PolarHBondContact O-N 3.27Å; P268-G270 PolarHBondContact O-N 3.38Å; G270-R354 CarbonylContact O-C 3.57Å; G270-R354 WeakPolarHBondContact O-CA 3.35Å; G270-K355 PolarHBondContact O-N 2.86Å
271	V	98.7	Very high	98	Very high	11 Å²	11	18 Å²	18	7%	0.067	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	141.3	-172.5	-62.8	0	0	0	0	113.5	E115 D239 V240 I241 L273 Y353 R354	E115-V271 HydrophobicContact CG-CG2 4.32Å; D239-V271 PolarHBondContact O-N 2.83Å; V240-V271 CarbonylContact C-O 3.5Å; V240-V271 VanDerWaalsContact CA-O 3.31Å; V240-V271 WeakPolarHBondContact CA-O 3.48Å; V240-V271 HydrophobicContact CB-CG2 4.41Å; V240-V271 HydrophobicContact CG1-CG2 4.2Å; V240-V271 HydrophobicContact CG2-CG2 3.9Å; I241-V271 PolarHBondContact N-O 3.47Å; V271-L273 HydrophobicContact CB-CD2 4.48Å; V271-L273 HydrophobicContact CG2-CD2 4.22Å; V271-L273 HydrophobicContact CG2-CG 4.49Å; V271-Y353 CarbonylContact C-O 3.58Å; V271-Y353 VanDerWaalsContact CA-O 3.3Å; V271-Y353 WeakPolarHBondContact CA-O 3.46Å; V271-R354 HydrophobicContact CG1-CB 4.12Å; V271-R354 HydrophobicContact CG1-CG 4.17Å
272	M	98.8	Very high	97.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	124.9	169.4	-159.2	169.6	-60.7	0	0	109.5	I241 L243 I259 L262 A263 L266 F318 L323 K352 Y353	I241-M272 HydrophobicContact CB-CG 4.19Å; I241-M272 HydrophobicContact CD1-CE 4.16Å; I241-M272 HydrophobicContact CG2-CG 4.26Å; I241-M272 CarbonylContact O-C 3.57Å; I241-M272 WeakPolarHBondContact O-CA 3.11Å; L243-M272 HydrophobicContact CD1-CG 3.39Å; L243-M272 HydrophobicContact CD1-SD 3.61Å; I259-M272 HydrophobicContact CD1-SD 4.09Å; I259-M272 HydrophobicContact CG2-SD 4.45Å; L262-M272 HydrophobicContact CB-CE 3.51Å; L262-M272 HydrophobicContact CB-SD 4.38Å; A263-M272 HydrophobicContact CB-CE 4.42Å; L266-M272 HydrophobicContact CD1-CB 4.21Å; L266-M272 HydrophobicContact CD1-CE 4.09Å; M272-F318 HydrophobicContact CB-CE1 4.29Å; M272-F318 HydrophobicContact CG-CE1 3.95Å; M272-F318 HydrophobicContact SD-CD1 4.14Å; M272-F318 HydrophobicContact SD-CE1 3.52Å; M272-F318 VanDerWaalsContact SD-CE1 3.52Å; M272-L323 HydrophobicContact CB-CD1 4.31Å; M272-L323 HydrophobicContact CE-CD1 3.95Å; M272-L323 HydrophobicContact SD-CD1 4.34Å; M272-K352 WeakPolarHBondContact O-CA 3.13Å; M272-Y353 PolarHBondContact N-O 2.95Å; M272-Y353 PolarHBondContact O-N 3.14Å
273	L	98.7	Very high	97.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.1	-178.3	-52.7	-178.3	0	0	0	108.5	F113 E115 L116 V240 I241 V242 L243 V271 K352	F113-L273 HydrophobicContact CB-CD1 3.89Å; F113-L273 HydrophobicContact CD1-CB 3.94Å; F113-L273 HydrophobicContact CD1-CD1 3.89Å; F113-L273 HydrophobicContact CD1-CD2 4.17Å; F113-L273 HydrophobicContact CD1-CG 4.22Å; F113-L273 HydrophobicContact CE1-CB 3.85Å; F113-L273 HydrophobicContact CG-CB 4.41Å; F113-L273 HydrophobicContact CG-CD1 3.95Å; F113-L273 HydrophobicContact CZ-CB 4.26Å; E115-L273 HydrophobicContact CB-CD1 4.35Å; L116-L273 HydrophobicContact CD2-CD1 4.12Å; L116-L273 HydrophobicContact CG-CD1 4.16Å; V240-L273 HydrophobicContact CG1-CD1 3.69Å; V240-L273 HydrophobicContact CG1-CG 3.99Å; I241-L273 PolarHBondContact O-N 3.18Å; V242-L273 CarbonylContact C-O 3.49Å; V242-L273 WeakPolarHBondContact CA-O 3.41Å; V242-L273 HydrophobicContact CG2-CD1 4.34Å; L243-L273 PolarHBondContact N-O 3.25Å; V271-L273 HydrophobicContact CB-CD2 4.48Å; V271-L273 HydrophobicContact CG2-CD2 4.22Å; V271-L273 HydrophobicContact CG2-CG 4.49Å; L273-K352 HydrophobicContact CD2-CB 4.11Å; L273-K352 HydrophobicContact CD2-CD 4.15Å; L273-K352 HydrophobicContact CD2-CG 3.69Å
274	L	98.5	Very high	97.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	137.9	178.4	176.2	147	0	0	0	111.3	L243 L247 D276 L314 F318 Q350 C351	L243-L274 HydrophobicContact CB-CB 4.3Å; L243-L274 HydrophobicContact CB-CD1 4.2Å; L243-L274 HydrophobicContact CB-CG 4.33Å; L243-L274 CarbonylContact O-C 3.57Å; L243-L274 VanDerWaalsContact O-CA 3.24Å; L243-L274 WeakPolarHBondContact O-CA 3.31Å; L247-L274 HydrophobicContact CB-CD1 4.03Å; L247-L274 HydrophobicContact CD2-CD1 3.63Å; L247-L274 HydrophobicContact CG-CD1 4.49Å; L274-D276 HydrophobicContact CD2-CB 4.03Å; L274-D276 HydrophobicContact CG-CB 4.48Å; L274-L314 HydrophobicContact CD1-CD2 4.08Å; L274-L314 HydrophobicContact CD2-CD1 3.96Å; L274-L314 HydrophobicContact CD2-CD2 4.21Å; L274-F318 HydrophobicContact CB-CE2 4.5Å; L274-F318 HydrophobicContact CB-CZ 3.89Å; L274-F318 HydrophobicContact CD1-CE2 4.23Å; L274-F318 HydrophobicContact CD1-CZ 3.77Å; L274-F318 HydrophobicContact CG-CZ 4.37Å; L274-Q350 CarbonylContact O-C 3.6Å; L274-Q350 VanDerWaalsContact O-CA 3.31Å; L274-Q350 WeakPolarHBondContact O-CA 3.37Å; L274-C351 HydrophobicContact CB-CB 4.19Å; L274-C351 HydrophobicContact CD2-CB 4.33Å; L274-C351 PolarHBondContact N-O 2.67Å; L274-C351 PolarHBondContact O-N 3.27Å
275	R	97.9	Very high	97.3	Very high	6 Å²	6	18.3 Å²	18.3	2%	0.023	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	117.8	163.3	-174.1	177.4	177.2	94.4	8.2	109.4	W108 E112 F113 L243 I244 F245 D331 I349	W108-R275 VanDerWaalsContact CH2-CD 3.42Å; E112-R275 IonicContact OE1-CZ 3.19Å; E112-R275 IonicContact OE1-NH1 3.73Å; E112-R275 PolarHBondContact OE1-NH1 3.29Å; E112-R275 VanDerWaalsContact OE1-NH1 3.13Å; E112-R275 IonicContact OE2-CZ 2.92Å; E112-R275 IonicContact OE2-NE 3.76Å; E112-R275 IonicContact OE2-NH1 3.61Å; E112-R275 PolarHBondContact OE2-NH1 3.46Å; F113-R275 HydrophobicContact CE2-CB 4.18Å; F113-R275 HydrophobicContact CZ-CB 3.98Å; L243-R275 PolarHBondContact O-N 2.61Å; I244-R275 CarbonylContact C-O 3.59Å; I244-R275 WeakPolarHBondContact CA-O 3.44Å; I244-R275 HydrophobicContact CG1-CB 4.42Å; F245-R275 PolarHBondContact N-O 3.25Å; R275-D331 IonicContact CZ-OD2 3.51Å; R275-D331 IonicContact NH1-OD2 2.92Å; R275-D331 PolarHBondContact NH1-OD2 2.69Å; R275-D331 IonicContact NH2-OD2 3.79Å; R275-D331 PolarHBondContact NH2-OD2 3.04Å; R275-I349 VanDerWaalsContact CA-O 3.3Å; R275-I349 WeakPolarHBondContact CA-O 3.31Å
276	D	98.1	Very high	97.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	-177.9	-177.8	-138.7	-41.6	0	0	0	112.7	V246 L247 S248 L274 F309 W348 I349	V246-D276 PolarHBondContact N-OD2 3.47Å; L247-D276 PolarHBondContact N-OD2 2.99Å; S248-D276 WeakPolarHBondContact CB-OD1 3.36Å; S248-D276 PolarHBondContact N-OD2 3.29Å; S248-D276 VanDerWaalsContact OG-CG 3.29Å; S248-D276 PolarHBondContact OG-OD1 2.98Å; S248-D276 PolarHBondContact OG-OD2 3.38Å; L274-D276 HydrophobicContact CD2-CB 4.03Å; L274-D276 HydrophobicContact CG-CB 4.48Å; D276-F309 HydrophobicContact CB-CD2 4.14Å; D276-F309 HydrophobicContact CB-CE2 4.21Å; D276-W348 CarbonylContact O-C 3.54Å; D276-W348 VanDerWaalsContact O-CA 3.28Å; D276-W348 WeakPolarHBondContact O-CA 3.34Å; D276-W348 WeakPolarHBondContact O-CB 3.29Å; D276-I349 PolarHBondContact N-O 3.22Å; D276-I349 PolarHBondContact O-N 3.21Å
277	Y	97.9	Very high	96.9	Very high	32 Å²	32	26.5 Å²	26.5	13%	0.125	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	129.5	-178.6	-58.7	-76.8	0	0	0	112.1	F245 S248 R300 V306 F308 F309	F245-Y277 HydrophobicContact CB-CE2 4.5Å; F245-Y277 HydrophobicContact CD1-CD1 4.39Å; F245-Y277 HydrophobicContact CD1-CD2 4.03Å; F245-Y277 HydrophobicContact CD1-CE1 4.04Å; F245-Y277 AromaticContact CD1-CE2 3.67Å; F245-Y277 HydrophobicContact CD1-CE2 3.67Å; F245-Y277 HydrophobicContact CD1-CG 4.39Å; F245-Y277 AromaticContact CD1-CZ 3.66Å; F245-Y277 HydrophobicContact CE1-CD1 4.16Å; F245-Y277 AromaticContact CE1-CE1 3.92Å; F245-Y277 HydrophobicContact CE1-CE1 3.92Å; F245-Y277 HydrophobicContact CE1-CE2 4.35Å; F245-Y277 HydrophobicContact CE1-CG 4.47Å; F245-Y277 HydrophobicContact CG-CE2 4.45Å; S248-Y277 WeakPolarHBondContact OG-CD2 3.18Å; Y277-R300 VanDerWaalsContact CE2-NH2 3.29Å; Y277-R300 PolarHBondContact OH-NH2 2.98Å; Y277-V306 HydrophobicContact CD2-CG2 3.5Å; Y277-V306 HydrophobicContact CE2-CG2 3.8Å; Y277-V306 HydrophobicContact CG-CG2 4.18Å; Y277-F308 HydrophobicContact CD1-CE1 4.42Å; Y277-F308 HydrophobicContact CG-CD1 4.46Å; Y277-F308 HydrophobicContact CG-CE1 4.22Å; Y277-F309 PolarHBondContact O-N 3.38Å
278	G	97.5	Very high	96.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-90.4	153.9	174.1	0	0	0	0	0	112.9	D281 F308 F309 V347	G278-D281 WeakPolarHBondContact O-CB 3.12Å; G278-D281 PolarHBondContact O-N 3.34Å; G278-D281 VanDerWaalsContact O-N 3.13Å; G278-F308 WeakPolarHBondContact O-CD1 3.4Å; G278-F309 CarbonylContact C-O 3.57Å; G278-F309 WeakPolarHBondContact CA-O 3.28Å; G278-V347 PolarHBondContact N-O 2.99Å
279	R	96.8	Very high	95.9	Very high	23 Å²	23	35.5 Å²	35.5	9%	0.087	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	137.8	171.3	-177.2	73.8	62.3	-116.3	-3.2	109.9	D281 N296 F308 F309 T310 E313	R279-D281 PolarHBondContact O-N 3.46Å; R279-N296 VanDerWaalsContact CZ-ND2 3.28Å; R279-N296 VanDerWaalsContact CZ-OD1 3.29Å; R279-N296 PolarHBondContact NH1-OD1 3.49Å; R279-N296 VanDerWaalsContact NH2-CG 3.28Å; R279-N296 PolarHBondContact NH2-ND2 3.14Å; R279-N296 VanDerWaalsContact NH2-ND2 3.13Å; R279-F308 VanDerWaalsContact NH1-CB 3.34Å; R279-F308 PolarHBondContact NH1-O 2.95Å; R279-F308 PolarHBondContact NH2-O 3.28Å; R279-F309 WeakPolarHBondContact CB-O 2.96Å; R279-F309 PolarHBondContact N-O 2.96Å; R279-T310 HydrophobicContact CB-CG2 4.09Å; R279-T310 HydrophobicContact CG-CG2 4.28Å; R279-E313 IonicContact NH2-OE1 3.9Å; R279-E313 PolarHBondContact NH2-OE1 3.45Å; R279-E313 IonicContact NH2-OE2 3.81Å; R279-E313 PolarHBondContact NH2-OE2 2.91Å
280	Y	95.6	Very high	95.6	Very high	51 Å²	51	36.1 Å²	36.1	20%	0.2	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	11.9	-177.9	-43	-49.3	0	0	0	115.8	W56 A64 K65 V68 M282 L285	W56-Y280 WeakPolarHBondContact CH2-O 3.36Å; W56-Y280 HydrophobicContact CZ3-CG 4.49Å; A64-Y280 HydrophobicContact CB-CD1 3.85Å; A64-Y280 HydrophobicContact CB-CG 3.92Å; K65-Y280 HydrophobicContact CG-CE1 4.19Å; K65-Y280 VanDerWaalsContact CG-OH 3.29Å; K65-Y280 WeakPolarHBondContact CG-OH 3.45Å; V68-Y280 HydrophobicContact CB-CE1 4.36Å; V68-Y280 HydrophobicContact CG2-CD1 3.67Å; V68-Y280 HydrophobicContact CG2-CE1 3.83Å; Y280-M282 PolarHBondContact O-N 2.82Å; Y280-L285 HydrophobicContact CD1-CD2 4.4Å
281	D	96.1	Very high	95.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.185	C	C	.	.			trans	-52.5	143.3	165.5	-177.9	-96.5	0	0	0	110	G278 R279 A283 Q284 L285 F308 R346 V347	G278-D281 WeakPolarHBondContact O-CB 3.12Å; G278-D281 PolarHBondContact O-N 3.34Å; G278-D281 VanDerWaalsContact O-N 3.13Å; R279-D281 PolarHBondContact O-N 3.46Å; D281-A283 PolarHBondContact O-N 3.18Å; D281-A283 WeakPolarHBondContact OD1-CB 3.49Å; D281-A283 PolarHBondContact OD1-N 3.24Å; D281-Q284 WeakPolarHBondContact O-CA 3.37Å; D281-Q284 VanDerWaalsContact O-CB 3.29Å; D281-Q284 WeakPolarHBondContact O-CB 3.25Å; D281-Q284 PolarHBondContact O-N 3.05Å; D281-L285 PolarHBondContact O-N 3.03Å; D281-F308 HydrophobicContact CB-CD1 4.13Å; D281-F308 HydrophobicContact CB-CE1 4.01Å; D281-R346 IonicContact OD1-NE 2.69Å; D281-R346 IonicContact OD1-NH2 2.92Å; D281-R346 WeakPolarHBondContact OD2-CA 3.32Å; D281-R346 IonicContact OD2-CZ 3.72Å; D281-R346 IonicContact OD2-NE 3.22Å; D281-R346 PolarHBondContact OD2-NE 3.05Å; D281-R346 IonicContact OD2-NH2 3.63Å; D281-V347 HydrophobicContact CB-CB 4.09Å; D281-V347 PolarHBondContact OD2-N 3.4Å
282	M	93.6	Very high	95.4	Very high	29 Å²	29	39.4 Å²	39.4	14%	0.143	18%	0.183	C	C	.	.	H	α-helix	trans	-50.8	-32.2	178.5	173.5	-168.1	77.5	0	0	113.3	Y280 Q284 L285 R286 M344 Y345	Y280-M282 PolarHBondContact O-N 2.82Å; M282-Q284 VanDerWaalsContact C-N 3.34Å; M282-L285 PolarHBondContact O-N 3.48Å; M282-R286 HydrophobicContact CG-CG 4.3Å; M282-R286 WeakPolarHBondContact O-CB 3.12Å; M282-R286 VanDerWaalsContact O-CG 3.27Å; M282-R286 WeakPolarHBondContact O-CG 3.42Å; M282-R286 PolarHBondContact O-N 3.19Å; M282-R286 PolarHBondContact SD-NH2 2.76Å; M282-M344 HydrophobicContact CE-CB 3.99Å; M282-M344 HydrophobicContact CE-CG 3.99Å; M282-M344 HydrophobicContact CE-SD 3.88Å; M282-M344 HydrophobicContact SD-CB 3.39Å; M282-M344 WeakPolarHBondContact SD-CB 3.43Å; M282-M344 HydrophobicContact SD-CG 3.39Å; M282-M344 WeakPolarHBondContact SD-CG 3.47Å; M282-M344 HydrophobicContact SD-SD 4.06Å; M282-Y345 WeakPolarHBondContact CB-O 3.4Å; M282-Y345 PolarHBondContact N-O 3.36Å; M282-Y345 VanDerWaalsContact N-O 3.1Å
283	A	93.8	Very high	95.4	Very high	35 Å²	35	39.5 Å²	39.5	29%	0.289	18%	0.183	S	C	.	.	H	α-helix	trans	-62.5	-40.4	174.7	0	0	0	0	0	111.9	D281 F287 F308	D281-A283 PolarHBondContact O-N 3.18Å; D281-A283 WeakPolarHBondContact OD1-CB 3.49Å; D281-A283 PolarHBondContact OD1-N 3.24Å; A283-F287 VanDerWaalsContact O-CD2 3.3Å; A283-F287 WeakPolarHBondContact O-CD2 3.19Å; A283-F287 WeakPolarHBondContact O-CE2 3.1Å; A283-F308 HydrophobicContact CB-CE1 4.13Å; A283-F308 HydrophobicContact CB-CZ 4.04Å
284	Q	96.5	Very high	95.3	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.5	-48.4	175.2	-164.9	179.4	7.3	0	0	111	V68 N71 D281 M282 R286 F287 N296 Y298 F308	V68-Q284 HydrophobicContact CG2-CG 4.18Å; N71-Q284 PolarHBondContact ND2-O 3.22Å; D281-Q284 WeakPolarHBondContact O-CA 3.37Å; D281-Q284 VanDerWaalsContact O-CB 3.29Å; D281-Q284 WeakPolarHBondContact O-CB 3.25Å; D281-Q284 PolarHBondContact O-N 3.05Å; M282-Q284 VanDerWaalsContact C-N 3.34Å; Q284-R286 PolarHBondContact O-N 3.45Å; Q284-F287 WeakPolarHBondContact O-CD2 3.49Å; Q284-F287 PolarHBondContact O-N 2.94Å; Q284-N296 PolarHBondContact NE2-OD1 2.99Å; Q284-Y298 HydrophobicContact CG-CE2 3.75Å; Q284-Y298 PolarHBondContact NE2-OH 2.67Å; Q284-F308 HydrophobicContact CB-CD1 3.7Å; Q284-F308 HydrophobicContact CB-CD2 3.82Å; Q284-F308 HydrophobicContact CB-CE1 3.66Å; Q284-F308 HydrophobicContact CB-CE2 3.77Å; Q284-F308 HydrophobicContact CB-CG 3.79Å; Q284-F308 HydrophobicContact CB-CZ 3.69Å; Q284-F308 HydrophobicContact CG-CB 4.42Å; Q284-F308 HydrophobicContact CG-CD1 4.29Å; Q284-F308 HydrophobicContact CG-CD2 3.61Å; Q284-F308 HydrophobicContact CG-CE2 3.87Å; Q284-F308 HydrophobicContact CG-CG 3.84Å; Q284-F308 HydrophobicContact CG-CZ 4.32Å
285	L	95.2	Very high	95.1	Very high	39 Å²	39	47.3 Å²	47.3	20%	0.204	22%	0.223	C	C	.	.	H	α-helix	trans	-67.3	-22.3	-173.8	-56.9	-176.7	0	0	0	113.2	W56 A64 K67 V68 Y280 D281 M282	W56-L285 HydrophobicContact CH2-CD1 4.21Å; A64-L285 HydrophobicContact CB-CD1 4.06Å; A64-L285 HydrophobicContact CB-CD2 3.91Å; K67-L285 HydrophobicContact CB-CD2 4.22Å; K67-L285 HydrophobicContact CG-CB 4.35Å; K67-L285 HydrophobicContact CG-CD2 4.44Å; K67-L285 WeakPolarHBondContact CG-O 3.47Å; V68-L285 HydrophobicContact CG2-CD2 3.83Å; Y280-L285 HydrophobicContact CD1-CD2 4.4Å; D281-L285 PolarHBondContact O-N 3.03Å; M282-L285 PolarHBondContact O-N 3.48Å
286	R	93.8	Very high	95.1	Very high	145 Å²	145	47.4 Å²	47.4	55%	0.547	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-4.6	-178.6	-74.4	178.9	176.9	-176.9	1.5	114.4	M282 Q284	M282-R286 HydrophobicContact CG-CG 4.3Å; M282-R286 WeakPolarHBondContact O-CB 3.12Å; M282-R286 VanDerWaalsContact O-CG 3.27Å; M282-R286 WeakPolarHBondContact O-CG 3.42Å; M282-R286 PolarHBondContact O-N 3.19Å; M282-R286 PolarHBondContact SD-NH2 2.76Å; Q284-R286 PolarHBondContact O-N 3.45Å
287	F	94.4	Very high	95.1	Very high	29 Å²	29	47.4 Å²	47.4	13%	0.127	22%	0.224	C	C	.	.			trans	-57.9	147.2	172.1	-81.5	-70.9	0	0	0	110.8	N71 A283 Q284 R291 Y298 V299 R300 V306 F308	N71-F287 PolarHBondContact ND2-O 3.22Å; N71-F287 PolarHBondContact OD1-O 2.87Å; A283-F287 VanDerWaalsContact O-CD2 3.3Å; A283-F287 WeakPolarHBondContact O-CD2 3.19Å; A283-F287 WeakPolarHBondContact O-CE2 3.1Å; Q284-F287 WeakPolarHBondContact O-CD2 3.49Å; Q284-F287 PolarHBondContact O-N 2.94Å; F287-R291 HydrophobicContact CD1-CB 3.71Å; F287-R291 HydrophobicContact CD1-CG 4.16Å; F287-R291 HydrophobicContact CE1-CB 4.36Å; F287-Y298 HydrophobicContact CB-CD1 4.2Å; F287-Y298 HydrophobicContact CD1-CD1 4.49Å; F287-Y298 HydrophobicContact CD1-CG 4.4Å; F287-Y298 HydrophobicContact CD2-CD1 4.04Å; F287-Y298 AromaticContact CD2-CD2 3.94Å; F287-Y298 HydrophobicContact CD2-CD2 3.94Å; F287-Y298 HydrophobicContact CD2-CE2 4.46Å; F287-Y298 AromaticContact CD2-CG 3.68Å; F287-Y298 HydrophobicContact CD2-CG 3.68Å; F287-Y298 AromaticContact CE2-CD2 3.98Å; F287-Y298 HydrophobicContact CE2-CD2 3.98Å; F287-Y298 AromaticContact CE2-CG 3.85Å; F287-Y298 HydrophobicContact CE2-CG 3.85Å; F287-Y298 AromaticContact CG-CD1 3.98Å; F287-Y298 HydrophobicContact CG-CD1 3.98Å; F287-Y298 AromaticContact CG-CG 4Å; F287-Y298 HydrophobicContact CG-CG 4Å; F287-Y298 HydrophobicContact CZ-CG 4.27Å; F287-V299 VanDerWaalsContact CE1-O 3.3Å; F287-V299 WeakPolarHBondContact CE1-O 3.31Å; F287-R300 HydrophobicContact CZ-CG 4.26Å; F287-V306 HydrophobicContact CE2-CG1 4.02Å; F287-V306 HydrophobicContact CZ-CG1 3.71Å; F287-F308 HydrophobicContact CD2-CE2 4.4Å; F287-F308 AromaticContact CE2-CE2 3.74Å; F287-F308 HydrophobicContact CE2-CE2 3.74Å; F287-F308 AromaticContact CE2-CZ 3.95Å; F287-F308 HydrophobicContact CE2-CZ 3.95Å
288	K	88.1	Confident	95.1	Very high	167 Å²	167	45.9 Å²	45.9	73%	0.726	22%	0.218	S	C	*	.			trans	-104.5	164	174.6	-62.9	-177.4	179.6	-179.4	0	108.4	R291	K288-R291 WeakPolarHBondContact O-CB 3.37Å
289	K	88	Confident	95.1	Very high	148 Å²	148	45.9 Å²	45.9	64%	0.643	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.7	146.8	170.8	-64	-173.6	176.4	-173.1	0	111.1
290	G	91.9	Very high	95.1	Very high	38 Å²	38	47.6 Å²	47.6	39%	0.392	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	24.2	-178.2	0	0	0	0	0	114.2	L75	L75-G290 WeakPolarHBondContact CD2-O 3.36Å
291	R	95.9	Very high	95	Very high	85 Å²	85	48.6 Å²	48.6	32%	0.321	25%	0.25	S	S	.	.			trans	-123.9	-6.6	174.6	-62.5	-63.9	-177	166.6	-2.5	113.6	F287 K288 Y298 V299 R300	F287-R291 HydrophobicContact CD1-CB 3.71Å; F287-R291 HydrophobicContact CD1-CG 4.16Å; F287-R291 HydrophobicContact CE1-CB 4.36Å; K288-R291 WeakPolarHBondContact O-CB 3.37Å; R291-Y298 CarbonylContact O-C 3.58Å; R291-Y298 WeakPolarHBondContact O-CA 3.41Å; R291-Y298 WeakPolarHBondContact O-CB 3.4Å; R291-V299 HydrophobicContact CB-CG1 4.46Å; R291-V299 WeakPolarHBondContact CD-O 3.49Å; R291-V299 PolarHBondContact O-N 3.04Å; R291-R300 PolarHBondContact NH1-O 2.97Å
292	C	97.2	Very high	95	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.007	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	127.3	179.7	-169.8	0	0	0	0	109.4	N71 Q73 P74 L75 S294 Y298	N71-C292 WeakPolarHBondContact O-CB 3.28Å; Q73-C292 WeakPolarHBondContact O-CB 3.43Å; P74-C292 CarbonylContact C-O 3.58Å; P74-C292 WeakPolarHBondContact CA-O 3.47Å; L75-C292 WeakPolarHBondContact CG-O 3.48Å; L75-C292 PolarHBondContact N-O 2.95Å; C292-S294 PolarHBondContact SG-O 2.96Å; C292-Y298 HydrophobicContact CB-CD1 4.03Å; C292-Y298 HydrophobicContact CB-CE1 4.05Å
293	L	97.3	Very high	95.1	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-53.8	171.6	-66	171.4	0	0	0	109.1	L75 Q80 Y83 F297 V299 R305	L75-L293 HydrophobicContact CD1-CD2 4.19Å; Q80-L293 HydrophobicContact CB-CD2 4.45Å; Q80-L293 HydrophobicContact CG-CD2 4.33Å; Q80-L293 PolarHBondContact NE2-O 3.33Å; Q80-L293 PolarHBondContact OE1-O 2.9Å; Q80-L293 VanDerWaalsContact OE1-O 3.1Å; Y83-L293 HydrophobicContact CD2-CD2 3.79Å; Y83-L293 HydrophobicContact CG-CD2 4.22Å; L293-F297 HydrophobicContact CB-CB 4.5Å; L293-F297 HydrophobicContact CB-CD1 3.57Å; L293-F297 HydrophobicContact CB-CE1 4.14Å; L293-F297 HydrophobicContact CB-CG 4.28Å; L293-F297 HydrophobicContact CD1-CD1 3.7Å; L293-F297 HydrophobicContact CD1-CE1 3.47Å; L293-F297 VanDerWaalsContact CD1-CE1 3.47Å; L293-F297 HydrophobicContact CD1-CG 4.4Å; L293-F297 HydrophobicContact CD1-CZ 4.05Å; L293-F297 HydrophobicContact CG-CD1 4.27Å; L293-F297 HydrophobicContact CG-CE1 4.45Å; L293-F297 PolarHBondContact N-O 2.78Å; L293-V299 HydrophobicContact CD1-CB 4.26Å; L293-V299 HydrophobicContact CG-CB 4.38Å; L293-R305 HydrophobicContact CD1-CB 4.34Å; L293-R305 HydrophobicContact CD1-CG 3.84Å
294	S	96.5	Very high	95.2	Very high	31 Å²	31	48.6 Å²	48.6	22%	0.217	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	179.6	172.5	61.5	0	0	0	0	109.1	C292 N296 F297	C292-S294 PolarHBondContact SG-O 2.96Å; S294-N296 PolarHBondContact O-N 3.36Å; S294-N296 VanDerWaalsContact O-N 3.08Å; S294-F297 PolarHBondContact N-O 2.91Å; S294-F297 PolarHBondContact O-N 2.99Å; S294-F297 VanDerWaalsContact O-O 3.07Å; S294-F297 VanDerWaalsContact OG-CB 3.28Å; S294-F297 WeakPolarHBondContact OG-CB 3.45Å
295	E	95.6	Very high	95.3	Very high	134 Å²	134	49.4 Å²	49.4	63%	0.626	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	122.6	-178.2	-158.8	-171	163	0	0	110.5	N72 F297 Y307	N72-E295 WeakPolarHBondContact ND2-CG 3.28Å; E295-F297 PolarHBondContact O-N 3.48Å; E295-F297 VanDerWaalsContact O-N 3.08Å; E295-Y307 WeakPolarHBondContact O-CE2 3.38Å
296	N	97.3	Very high	95.4	Very high	7 Å²	7	47.6 Å²	47.6	4%	0.037	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	6.5	-179.4	-56.8	-55.7	0	0	0	116.8	V68 R279 Q284 S294 Y298 Y307 F308	V68-N296 WeakPolarHBondContact CG1-OD1 3.39Å; R279-N296 VanDerWaalsContact CZ-ND2 3.28Å; R279-N296 VanDerWaalsContact CZ-OD1 3.29Å; R279-N296 PolarHBondContact NH1-OD1 3.49Å; R279-N296 VanDerWaalsContact NH2-CG 3.28Å; R279-N296 PolarHBondContact NH2-ND2 3.14Å; R279-N296 VanDerWaalsContact NH2-ND2 3.13Å; Q284-N296 PolarHBondContact NE2-OD1 2.99Å; S294-N296 PolarHBondContact O-N 3.36Å; S294-N296 VanDerWaalsContact O-N 3.08Å; N296-Y298 WeakPolarHBondContact O-CE2 3.44Å; N296-Y307 HydrophobicContact CB-CE2 3.97Å; N296-Y307 WeakPolarHBondContact O-CA 3.47Å; N296-F308 PolarHBondContact O-N 3.34Å
297	F	98.2	Very high	95.6	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	124.3	176.8	-167.7	-138.5	0	0	0	110.4	L250 H251 P252 L293 S294 E295 R305 Y307	L250-F297 VanDerWaalsContact O-CE2 3.28Å; L250-F297 WeakPolarHBondContact O-CE2 3.43Å; L250-F297 WeakPolarHBondContact O-CZ 3.37Å; H251-F297 HydrophobicContact CB-CE1 4.46Å; H251-F297 AromaticContact CD2-CE1 3.72Å; P252-F297 HydrophobicContact CG-CB 4.37Å; P252-F297 HydrophobicContact CG-CG 4.34Å; L293-F297 HydrophobicContact CB-CB 4.5Å; L293-F297 HydrophobicContact CB-CD1 3.57Å; L293-F297 HydrophobicContact CB-CE1 4.14Å; L293-F297 HydrophobicContact CB-CG 4.28Å; L293-F297 HydrophobicContact CD1-CD1 3.7Å; L293-F297 HydrophobicContact CD1-CE1 3.47Å; L293-F297 VanDerWaalsContact CD1-CE1 3.47Å; L293-F297 HydrophobicContact CD1-CG 4.4Å; L293-F297 HydrophobicContact CD1-CZ 4.05Å; L293-F297 HydrophobicContact CG-CD1 4.27Å; L293-F297 HydrophobicContact CG-CE1 4.45Å; L293-F297 PolarHBondContact N-O 2.78Å; S294-F297 PolarHBondContact N-O 2.91Å; S294-F297 PolarHBondContact O-N 2.99Å; S294-F297 VanDerWaalsContact O-O 3.07Å; S294-F297 VanDerWaalsContact OG-CB 3.28Å; S294-F297 WeakPolarHBondContact OG-CB 3.45Å; E295-F297 PolarHBondContact O-N 3.48Å; E295-F297 VanDerWaalsContact O-N 3.08Å; F297-R305 HydrophobicContact CE2-CB 3.66Å; F297-R305 HydrophobicContact CZ-CB 3.56Å; F297-R305 HydrophobicContact CZ-CG 4.11Å; F297-Y307 HydrophobicContact CB-CD2 3.77Å; F297-Y307 HydrophobicContact CB-CE2 4.34Å; F297-Y307 HydrophobicContact CD2-CD2 4.05Å; F297-Y307 HydrophobicContact CD2-CG 4.49Å; F297-Y307 HydrophobicContact CG-CD2 4.23Å
298	Y	98.2	Very high	95.8	Very high	1 Å²	1	40.6 Å²	40.6	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	155.5	-172	-51.8	-91	0	0	0	112.3	N71 N72 Q284 F287 R291 C292 N296 R305 V306 F308	N71-Y298 HydrophobicContact CB-CE1 4.13Å; N72-Y298 PolarHBondContact OD1-OH 3.27Å; Q284-Y298 HydrophobicContact CG-CE2 3.75Å; Q284-Y298 PolarHBondContact NE2-OH 2.67Å; F287-Y298 HydrophobicContact CB-CD1 4.2Å; F287-Y298 HydrophobicContact CD1-CD1 4.49Å; F287-Y298 HydrophobicContact CD1-CG 4.4Å; F287-Y298 HydrophobicContact CD2-CD1 4.04Å; F287-Y298 AromaticContact CD2-CD2 3.94Å; F287-Y298 HydrophobicContact CD2-CD2 3.94Å; F287-Y298 HydrophobicContact CD2-CE2 4.46Å; F287-Y298 AromaticContact CD2-CG 3.68Å; F287-Y298 HydrophobicContact CD2-CG 3.68Å; F287-Y298 AromaticContact CE2-CD2 3.98Å; F287-Y298 HydrophobicContact CE2-CD2 3.98Å; F287-Y298 AromaticContact CE2-CG 3.85Å; F287-Y298 HydrophobicContact CE2-CG 3.85Å; F287-Y298 AromaticContact CG-CD1 3.98Å; F287-Y298 HydrophobicContact CG-CD1 3.98Å; F287-Y298 AromaticContact CG-CG 4Å; F287-Y298 HydrophobicContact CG-CG 4Å; F287-Y298 HydrophobicContact CZ-CG 4.27Å; R291-Y298 CarbonylContact O-C 3.58Å; R291-Y298 WeakPolarHBondContact O-CA 3.41Å; R291-Y298 WeakPolarHBondContact O-CB 3.4Å; C292-Y298 HydrophobicContact CB-CD1 4.03Å; C292-Y298 HydrophobicContact CB-CE1 4.05Å; N296-Y298 WeakPolarHBondContact O-CE2 3.44Å; Y298-R305 CarbonylContact O-C 3.55Å; Y298-R305 VanDerWaalsContact O-CA 3.32Å; Y298-R305 WeakPolarHBondContact O-CA 3.24Å; Y298-V306 PolarHBondContact N-O 3.47Å; Y298-V306 PolarHBondContact O-N 3.04Å; Y298-F308 AromaticContact CD2-CD2 3.87Å; Y298-F308 HydrophobicContact CD2-CD2 3.87Å; Y298-F308 AromaticContact CD2-CE2 3.75Å; Y298-F308 HydrophobicContact CD2-CE2 3.75Å; Y298-F308 AromaticContact CE2-CD2 3.91Å; Y298-F308 HydrophobicContact CE2-CD2 3.91Å; Y298-F308 HydrophobicContact CE2-CE2 4.13Å
299	V	97.6	Very high	96.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	135.6	169.1	67.4	0	0	0	0	111.1	L75 Y83 F287 R291 L293 G303	L75-V299 HydrophobicContact CD1-CG1 4.23Å; Y83-V299 HydrophobicContact CD1-CG2 3.65Å; Y83-V299 HydrophobicContact CD2-CB 4.44Å; Y83-V299 HydrophobicContact CD2-CG1 4.27Å; Y83-V299 HydrophobicContact CD2-CG2 4.37Å; Y83-V299 HydrophobicContact CE1-CG2 3.57Å; Y83-V299 HydrophobicContact CE2-CB 4.45Å; Y83-V299 HydrophobicContact CE2-CG1 3.89Å; Y83-V299 HydrophobicContact CE2-CG2 4.29Å; Y83-V299 HydrophobicContact CG-CB 4.49Å; Y83-V299 HydrophobicContact CG-CG2 4.08Å; F287-V299 VanDerWaalsContact CE1-O 3.3Å; F287-V299 WeakPolarHBondContact CE1-O 3.31Å; R291-V299 HydrophobicContact CB-CG1 4.46Å; R291-V299 WeakPolarHBondContact CD-O 3.49Å; R291-V299 PolarHBondContact O-N 3.04Å; L293-V299 HydrophobicContact CD1-CB 4.26Å; L293-V299 HydrophobicContact CG-CB 4.38Å; V299-G303 WeakPolarHBondContact CG2-O 3.2Å
300	R	96.2	Very high	96.8	Very high	58 Å²	58	27.6 Å²	27.6	22%	0.219	16%	0.161	C	C	.	.			trans	-83.3	177.4	177.9	-63.2	-172.4	-178.3	-164.2	3.8	111.5	Y277 F287 R291 D302 G303 T304 V306	Y277-R300 VanDerWaalsContact CE2-NH2 3.29Å; Y277-R300 PolarHBondContact OH-NH2 2.98Å; F287-R300 HydrophobicContact CZ-CG 4.26Å; R291-R300 PolarHBondContact NH1-O 2.97Å; R300-D302 VanDerWaalsContact CB-OD1 3.29Å; R300-D302 WeakPolarHBondContact CB-OD1 3.4Å; R300-D302 PolarHBondContact O-N 3.24Å; R300-G303 PolarHBondContact O-N 3.03Å; R300-T304 WeakPolarHBondContact CB-O 3.46Å; R300-T304 WeakPolarHBondContact CD-OG1 3.33Å; R300-T304 PolarHBondContact N-O 2.58Å; R300-V306 HydrophobicContact CG-CG1 4.05Å
301	G	94.4	Very high	97.1	Very high	72 Å²	72	28.9 Å²	28.9	74%	0.742	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-29.6	-179.5	0	0	0	0	0	113.8	G303	G301-G303 VanDerWaalsContact C-N 3.34Å
302	D	94.8	Very high	97.2	Very high	57 Å²	57	30.1 Å²	30.1	31%	0.305	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	4.4	177.9	54.1	21	0	0	0	113.3	Y90 F94 R300 T304	Y90-D302 WeakPolarHBondContact CD1-O 3.1Å; F94-D302 WeakPolarHBondContact CD2-OD2 3.41Å; R300-D302 VanDerWaalsContact CB-OD1 3.29Å; R300-D302 WeakPolarHBondContact CB-OD1 3.4Å; R300-D302 PolarHBondContact O-N 3.24Å; D302-T304 PolarHBondContact O-N 2.75Å; D302-T304 WeakPolarHBondContact OD1-CB 3.13Å; D302-T304 PolarHBondContact OD1-N 2.91Å; D302-T304 PolarHBondContact OD1-OG1 3.09Å
303	G	96.3	Very high	97.2	Very high	5 Å²	5	32.3 Å²	32.3	5%	0.052	18%	0.18	C	C	.	.	S	Bend	trans	82	-9.1	-177.9	0	0	0	0	0	114.9	Y90 V299 R300 G301	Y90-G303 WeakPolarHBondContact CD2-O 3.17Å; V299-G303 WeakPolarHBondContact CG2-O 3.2Å; R300-G303 PolarHBondContact O-N 3.03Å; G301-G303 VanDerWaalsContact C-N 3.34Å
304	T	96.9	Very high	97.3	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.018	18%	0.18	C	C	.	.			trans	-67	154.3	172.6	65.8	0	0	0	0	110.8	W91 F94 R300 D302	W91-T304 HydrophobicContact CD2-CG2 3.83Å; W91-T304 HydrophobicContact CE3-CG2 3.94Å; W91-T304 HydrophobicContact CG-CG2 4.36Å; W91-T304 HydrophobicContact CH2-CG2 4.31Å; W91-T304 HydrophobicContact CZ2-CG2 4.21Å; W91-T304 HydrophobicContact CZ3-CG2 4.17Å; F94-T304 HydrophobicContact CB-CG2 4.26Å; F94-T304 HydrophobicContact CD2-CG2 4.44Å; R300-T304 WeakPolarHBondContact CB-O 3.46Å; R300-T304 WeakPolarHBondContact CD-OG1 3.33Å; R300-T304 PolarHBondContact N-O 2.58Å; D302-T304 PolarHBondContact O-N 2.75Å; D302-T304 WeakPolarHBondContact OD1-CB 3.13Å; D302-T304 PolarHBondContact OD1-N 2.91Å; D302-T304 PolarHBondContact OD1-OG1 3.09Å
305	R	97.3	Very high	97.4	Very high	16 Å²	16	33.5 Å²	33.5	6%	0.06	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	156.1	-173.5	-52	175.8	-56.4	-179.5	-0.5	111.2	N84 A249 L293 F297 Y298	N84-R305 PolarHBondContact OD1-NH1 3.39Å; A249-R305 PolarHBondContact O-NE 2.92Å; A249-R305 PolarHBondContact O-NH2 2.95Å; L293-R305 HydrophobicContact CD1-CB 4.34Å; L293-R305 HydrophobicContact CD1-CG 3.84Å; F297-R305 HydrophobicContact CE2-CB 3.66Å; F297-R305 HydrophobicContact CZ-CB 3.56Å; F297-R305 HydrophobicContact CZ-CG 4.11Å; Y298-R305 CarbonylContact O-C 3.55Å; Y298-R305 VanDerWaalsContact O-CA 3.32Å; Y298-R305 WeakPolarHBondContact O-CA 3.24Å
306	V	98.1	Very high	97.5	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	126.6	177.7	58.1	0	0	0	0	111.3	S248 Y277 F287 Y298 R300 F308	S248-V306 CarbonylContact O-C 3.52Å; S248-V306 VanDerWaalsContact O-CA 3.24Å; S248-V306 WeakPolarHBondContact O-CA 3.34Å; Y277-V306 HydrophobicContact CD2-CG2 3.5Å; Y277-V306 HydrophobicContact CE2-CG2 3.8Å; Y277-V306 HydrophobicContact CG-CG2 4.18Å; F287-V306 HydrophobicContact CE2-CG1 4.02Å; F287-V306 HydrophobicContact CZ-CG1 3.71Å; Y298-V306 PolarHBondContact N-O 3.47Å; Y298-V306 PolarHBondContact O-N 3.04Å; R300-V306 HydrophobicContact CG-CG1 4.05Å; V306-F308 HydrophobicContact CB-CE2 4.49Å; V306-F308 HydrophobicContact CG1-CE2 3.87Å; V306-F308 HydrophobicContact CG1-CZ 4.15Å; V306-F308 HydrophobicContact CG2-CD2 4.47Å; V306-F308 HydrophobicContact CG2-CE1 4.44Å; V306-F308 HydrophobicContact CG2-CE2 3.93Å; V306-F308 HydrophobicContact CG2-CZ 3.91Å
307	Y	98.6	Very high	97.6	Very high	27 Å²	27	33.6 Å²	33.6	11%	0.106	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	152.2	165.5	-163.6	-95	0	0	0	110.4	S248 P252 M255 E295 N296 F297 F309	S248-Y307 WeakPolarHBondContact CB-O 3.32Å; S248-Y307 PolarHBondContact O-N 3.24Å; P252-Y307 HydrophobicContact CB-CE2 4.34Å; P252-Y307 HydrophobicContact CG-CD2 3.54Å; P252-Y307 HydrophobicContact CG-CE2 3.56Å; M255-Y307 HydrophobicContact CE-CD1 4.31Å; M255-Y307 HydrophobicContact CE-CD2 4.34Å; M255-Y307 HydrophobicContact CE-CG 3.89Å; E295-Y307 WeakPolarHBondContact O-CE2 3.38Å; N296-Y307 HydrophobicContact CB-CE2 3.97Å; N296-Y307 WeakPolarHBondContact O-CA 3.47Å; F297-Y307 HydrophobicContact CB-CD2 3.77Å; F297-Y307 HydrophobicContact CB-CE2 4.34Å; F297-Y307 HydrophobicContact CD2-CD2 4.05Å; F297-Y307 HydrophobicContact CD2-CG 4.49Å; F297-Y307 HydrophobicContact CG-CD2 4.23Å; Y307-F309 AromaticContact CD1-CD1 3.51Å; Y307-F309 HydrophobicContact CD1-CD1 3.51Å; Y307-F309 HydrophobicContact CD1-CD2 4.15Å; Y307-F309 AromaticContact CD1-CE1 3.4Å; Y307-F309 HydrophobicContact CD1-CE1 3.4Å; Y307-F309 VanDerWaalsContact CD1-CE1 3.4Å; Y307-F309 HydrophobicContact CD1-CE2 4.07Å; Y307-F309 AromaticContact CD1-CG 3.89Å; Y307-F309 HydrophobicContact CD1-CG 3.89Å; Y307-F309 AromaticContact CD1-CZ 3.69Å; Y307-F309 HydrophobicContact CD1-CZ 3.69Å; Y307-F309 AromaticContact CE1-CD1 3.65Å; Y307-F309 HydrophobicContact CE1-CD1 3.65Å; Y307-F309 AromaticContact CE1-CE1 3.83Å; Y307-F309 HydrophobicContact CE1-CE1 3.83Å; Y307-F309 HydrophobicContact CE1-CG 4.25Å; Y307-F309 HydrophobicContact CG-CE1 4.35Å; Y307-F309 HydrophobicContact CG-CZ 4.33Å
308	F	98.4	Very high	97.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.182	C	C	.	.			trans	-118.9	129.1	173.5	-65.3	-93	0	0	0	108.2	Y277 G278 R279 D281 A283 Q284 F287 N296 Y298 V306	Y277-F308 HydrophobicContact CD1-CE1 4.42Å; Y277-F308 HydrophobicContact CG-CD1 4.46Å; Y277-F308 HydrophobicContact CG-CE1 4.22Å; G278-F308 WeakPolarHBondContact O-CD1 3.4Å; R279-F308 VanDerWaalsContact NH1-CB 3.34Å; R279-F308 PolarHBondContact NH1-O 2.95Å; R279-F308 PolarHBondContact NH2-O 3.28Å; D281-F308 HydrophobicContact CB-CD1 4.13Å; D281-F308 HydrophobicContact CB-CE1 4.01Å; A283-F308 HydrophobicContact CB-CE1 4.13Å; A283-F308 HydrophobicContact CB-CZ 4.04Å; Q284-F308 HydrophobicContact CB-CD1 3.7Å; Q284-F308 HydrophobicContact CB-CD2 3.82Å; Q284-F308 HydrophobicContact CB-CE1 3.66Å; Q284-F308 HydrophobicContact CB-CE2 3.77Å; Q284-F308 HydrophobicContact CB-CG 3.79Å; Q284-F308 HydrophobicContact CB-CZ 3.69Å; Q284-F308 HydrophobicContact CG-CB 4.42Å; Q284-F308 HydrophobicContact CG-CD1 4.29Å; Q284-F308 HydrophobicContact CG-CD2 3.61Å; Q284-F308 HydrophobicContact CG-CE2 3.87Å; Q284-F308 HydrophobicContact CG-CG 3.84Å; Q284-F308 HydrophobicContact CG-CZ 4.32Å; F287-F308 HydrophobicContact CD2-CE2 4.4Å; F287-F308 AromaticContact CE2-CE2 3.74Å; F287-F308 HydrophobicContact CE2-CE2 3.74Å; F287-F308 AromaticContact CE2-CZ 3.95Å; F287-F308 HydrophobicContact CE2-CZ 3.95Å; N296-F308 PolarHBondContact O-N 3.34Å; Y298-F308 AromaticContact CD2-CD2 3.87Å; Y298-F308 HydrophobicContact CD2-CD2 3.87Å; Y298-F308 AromaticContact CD2-CE2 3.75Å; Y298-F308 HydrophobicContact CD2-CE2 3.75Å; Y298-F308 AromaticContact CE2-CD2 3.91Å; Y298-F308 HydrophobicContact CE2-CD2 3.91Å; Y298-F308 HydrophobicContact CE2-CE2 4.13Å; V306-F308 HydrophobicContact CB-CE2 4.49Å; V306-F308 HydrophobicContact CG1-CE2 3.87Å; V306-F308 HydrophobicContact CG1-CZ 4.15Å; V306-F308 HydrophobicContact CG2-CD2 4.47Å; V306-F308 HydrophobicContact CG2-CE1 4.44Å; V306-F308 HydrophobicContact CG2-CE2 3.93Å; V306-F308 HydrophobicContact CG2-CZ 3.91Å
309	F	98.4	Very high	97.7	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.009	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-100.8	152.6	-170.5	-66	-79.6	0	0	0	113	L247 M255 D276 Y277 G278 R279 Y307 E313 L314 L317 I349	L247-F309 HydrophobicContact CB-CE2 4.48Å; L247-F309 HydrophobicContact CB-CZ 4.26Å; L247-F309 HydrophobicContact CD2-CE1 4.32Å; L247-F309 HydrophobicContact CD2-CZ 3.99Å; L247-F309 HydrophobicContact CG-CZ 3.87Å; M255-F309 HydrophobicContact CE-CE1 4.09Å; M255-F309 HydrophobicContact CE-CZ 3.77Å; M255-F309 HydrophobicContact SD-CE1 3.53Å; M255-F309 VanDerWaalsContact SD-CE1 3.53Å; M255-F309 HydrophobicContact SD-CZ 3.66Å; D276-F309 HydrophobicContact CB-CD2 4.14Å; D276-F309 HydrophobicContact CB-CE2 4.21Å; Y277-F309 PolarHBondContact O-N 3.38Å; G278-F309 CarbonylContact C-O 3.57Å; G278-F309 WeakPolarHBondContact CA-O 3.28Å; R279-F309 WeakPolarHBondContact CB-O 2.96Å; R279-F309 PolarHBondContact N-O 2.96Å; Y307-F309 AromaticContact CD1-CD1 3.51Å; Y307-F309 HydrophobicContact CD1-CD1 3.51Å; Y307-F309 HydrophobicContact CD1-CD2 4.15Å; Y307-F309 AromaticContact CD1-CE1 3.4Å; Y307-F309 HydrophobicContact CD1-CE1 3.4Å; Y307-F309 VanDerWaalsContact CD1-CE1 3.4Å; Y307-F309 HydrophobicContact CD1-CE2 4.07Å; Y307-F309 AromaticContact CD1-CG 3.89Å; Y307-F309 HydrophobicContact CD1-CG 3.89Å; Y307-F309 AromaticContact CD1-CZ 3.69Å; Y307-F309 HydrophobicContact CD1-CZ 3.69Å; Y307-F309 AromaticContact CE1-CD1 3.65Å; Y307-F309 HydrophobicContact CE1-CD1 3.65Å; Y307-F309 AromaticContact CE1-CE1 3.83Å; Y307-F309 HydrophobicContact CE1-CE1 3.83Å; Y307-F309 HydrophobicContact CE1-CG 4.25Å; Y307-F309 HydrophobicContact CG-CE1 4.35Å; Y307-F309 HydrophobicContact CG-CZ 4.33Å; F309-E313 VanDerWaalsContact CA-OE2 3.28Å; F309-E313 WeakPolarHBondContact CA-OE2 3.42Å; F309-L314 HydrophobicContact CB-CD1 3.65Å; F309-L314 HydrophobicContact CB-CD2 4.5Å; F309-L314 HydrophobicContact CB-CG 3.89Å; F309-L314 HydrophobicContact CD1-CD1 4.47Å; F309-L314 HydrophobicContact CD1-CD2 3.81Å; F309-L314 HydrophobicContact CD1-CG 3.91Å; F309-L314 HydrophobicContact CD2-CD2 4.48Å; F309-L314 HydrophobicContact CE1-CD2 4.11Å; F309-L314 HydrophobicContact CG-CD1 3.99Å; F309-L314 HydrophobicContact CG-CD2 4.02Å; F309-L314 HydrophobicContact CG-CG 3.94Å; F309-L317 HydrophobicContact CE1-CD1 4.42Å; F309-I349 HydrophobicContact CB-CD1 4.02Å; F309-I349 WeakPolarHBondContact O-CD1 3.46Å
310	T	97.9	Very high	97.7	Very high	41 Å²	41	42.4 Å²	42.4	25%	0.252	23%	0.232	S	C	.	.			trans	-94.8	166.9	155.1	71.5	0	0	0	0	110.4	R279 D312 E313 L314 I349	R279-T310 HydrophobicContact CB-CG2 4.09Å; R279-T310 HydrophobicContact CG-CG2 4.28Å; T310-D312 VanDerWaalsContact C-N 3.29Å; T310-E313 PolarHBondContact N-OE2 3Å; T310-E313 WeakPolarHBondContact OG1-CB 3.38Å; T310-E313 VanDerWaalsContact OG1-CG 3.23Å; T310-E313 WeakPolarHBondContact OG1-CG 3.37Å; T310-E313 PolarHBondContact OG1-N 2.98Å; T310-L314 PolarHBondContact O-N 3.47Å; T310-I349 WeakPolarHBondContact O-CD1 3.46Å
311	Q	97.4	Very high	97.8	Very high	64 Å²	64	40.5 Å²	40.5	30%	0.299	23%	0.228	S	C	.	.	H	α-helix	trans	-67.4	-35.2	176.2	-63.5	-164.3	-90.3	0	0	112.1	H315 N328 L329 V330 I349	Q311-H315 WeakPolarHBondContact O-CB 2.91Å; Q311-H315 PolarHBondContact O-N 3.37Å; Q311-N328 PolarHBondContact NE2-O 2.98Å; Q311-N328 PolarHBondContact NE2-OD1 3.13Å; Q311-N328 PolarHBondContact O-ND2 3.08Å; Q311-L329 VanDerWaalsContact NE2-CA 3.3Å; Q311-V330 HydrophobicContact CG-CG2 3.34Å; Q311-I349 HydrophobicContact CG-CD1 4.19Å
312	D	98.4	Very high	98	Very high	112 Å²	112	39.2 Å²	39.2	60%	0.599	22%	0.215	S	C	*	.	H	α-helix	trans	-71.2	-45.1	-176.8	-62.4	-27	0	0	0	110.3	T310 L314 H315 E316	T310-D312 VanDerWaalsContact C-N 3.29Å; D312-L314 VanDerWaalsContact C-N 3.31Å; D312-L314 PolarHBondContact O-N 2.64Å; D312-H315 WeakPolarHBondContact O-CA 3.48Å; D312-H315 WeakPolarHBondContact O-CB 3.17Å; D312-H315 PolarHBondContact O-N 3.33Å; D312-E316 WeakPolarHBondContact O-CG 3.26Å; D312-E316 PolarHBondContact O-N 3.17Å
313	E	98.3	Very high	98.2	Very high	47 Å²	47	36.9 Å²	36.9	22%	0.22	20%	0.202	C	C	.	.	H	α-helix	trans	-52.9	-48.5	173	-74.5	162.7	-170.7	0	0	111.3	R279 F309 T310 L317	R279-E313 IonicContact NH2-OE1 3.9Å; R279-E313 PolarHBondContact NH2-OE1 3.45Å; R279-E313 IonicContact NH2-OE2 3.81Å; R279-E313 PolarHBondContact NH2-OE2 2.91Å; F309-E313 VanDerWaalsContact CA-OE2 3.28Å; F309-E313 WeakPolarHBondContact CA-OE2 3.42Å; T310-E313 PolarHBondContact N-OE2 3Å; T310-E313 WeakPolarHBondContact OG1-CB 3.38Å; T310-E313 VanDerWaalsContact OG1-CG 3.23Å; T310-E313 WeakPolarHBondContact OG1-CG 3.37Å; T310-E313 PolarHBondContact OG1-N 2.98Å; E313-L317 VanDerWaalsContact O-CG 3.31Å; E313-L317 WeakPolarHBondContact O-CG 3.31Å; E313-L317 PolarHBondContact O-N 3.21Å; E313-L317 VanDerWaalsContact O-N 3.09Å
314	L	98.4	Very high	98.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-66.4	-40.7	177	-73.4	166	0	0	0	111.2	L247 L274 F309 T310 D312 E316 L317 F318 I349	L247-L314 HydrophobicContact CD2-CD2 3.89Å; L274-L314 HydrophobicContact CD1-CD2 4.08Å; L274-L314 HydrophobicContact CD2-CD1 3.96Å; L274-L314 HydrophobicContact CD2-CD2 4.21Å; F309-L314 HydrophobicContact CB-CD1 3.65Å; F309-L314 HydrophobicContact CB-CD2 4.5Å; F309-L314 HydrophobicContact CB-CG 3.89Å; F309-L314 HydrophobicContact CD1-CD1 4.47Å; F309-L314 HydrophobicContact CD1-CD2 3.81Å; F309-L314 HydrophobicContact CD1-CG 3.91Å; F309-L314 HydrophobicContact CD2-CD2 4.48Å; F309-L314 HydrophobicContact CE1-CD2 4.11Å; F309-L314 HydrophobicContact CG-CD1 3.99Å; F309-L314 HydrophobicContact CG-CD2 4.02Å; F309-L314 HydrophobicContact CG-CG 3.94Å; T310-L314 PolarHBondContact O-N 3.47Å; D312-L314 VanDerWaalsContact C-N 3.31Å; D312-L314 PolarHBondContact O-N 2.64Å; L314-E316 VanDerWaalsContact C-N 3.32Å; L314-E316 PolarHBondContact O-N 3Å; L314-L317 HydrophobicContact CD2-CD1 4.35Å; L314-L317 PolarHBondContact O-N 3.04Å; L314-F318 HydrophobicContact CB-CD2 4.34Å; L314-F318 HydrophobicContact CB-CE2 4.21Å; L314-F318 HydrophobicContact CD2-CE2 4.03Å; L314-F318 WeakPolarHBondContact O-CD2 3.14Å; L314-F318 PolarHBondContact O-N 3.37Å; L314-I349 HydrophobicContact CD1-CB 3.9Å; L314-I349 HydrophobicContact CD1-CD1 4.12Å; L314-I349 HydrophobicContact CD1-CG2 3.49Å; L314-I349 VanDerWaalsContact CD1-CG2 3.49Å
315	H	98.7	Very high	98.4	Very high	57 Å²	57	47 Å²	47	26%	0.264	25%	0.246	S	C	.	.	H	α-helix	trans	-58.6	-45.3	178.4	-175.8	27.8	0	0	0	112.6	Q311 D312 A319 K325 Y353	Q311-H315 WeakPolarHBondContact O-CB 2.91Å; Q311-H315 PolarHBondContact O-N 3.37Å; D312-H315 WeakPolarHBondContact O-CA 3.48Å; D312-H315 WeakPolarHBondContact O-CB 3.17Å; D312-H315 PolarHBondContact O-N 3.33Å; H315-A319 WeakPolarHBondContact O-CB 2.9Å; H315-A319 PolarHBondContact O-N 2.98Å; H315-K325 PolarHBondContact NE2-NZ 2.96Å; H315-K325 VanDerWaalsContact NE2-NZ 3.13Å; H315-Y353 VanDerWaalsContact CA-OH 3.26Å; H315-Y353 WeakPolarHBondContact CA-OH 3.28Å; H315-Y353 WeakPolarHBondContact CB-OH 3.45Å; H315-Y353 AromaticContact ND1-CE1 3.69Å; H315-Y353 AromaticContact ND1-CZ 3.9Å; H315-Y353 PolarHBondContact ND1-OH 3.36Å
316	E	98.7	Very high	98.4	Very high	117 Å²	117	49.2 Å²	49.2	55%	0.547	26%	0.261	S	S	.	.	H	α-helix	trans	-58.9	-52.3	175.2	-70.5	170.7	-177.5	0	0	110.2	D312 L314 F318 A319 E320	D312-E316 WeakPolarHBondContact O-CG 3.26Å; D312-E316 PolarHBondContact O-N 3.17Å; L314-E316 VanDerWaalsContact C-N 3.32Å; L314-E316 PolarHBondContact O-N 3Å; E316-F318 VanDerWaalsContact C-N 3.33Å; E316-F318 PolarHBondContact O-N 3.45Å; E316-A319 PolarHBondContact O-N 2.9Å; E316-A319 VanDerWaalsContact O-N 3.17Å; E316-E320 WeakPolarHBondContact O-CB 3.19Å; E316-E320 WeakPolarHBondContact O-CG 3.41Å; E316-E320 PolarHBondContact O-N 3.42Å
317	L	98.7	Very high	98.4	Very high	25 Å²	25	51 Å²	51	13%	0.131	27%	0.27	C	S	.	.	H	α-helix	trans	-52.8	-47.6	179.8	-72.5	172	0	0	0	113.2	L247 M255 Q256 F309 E313 L314 A321	L247-L317 HydrophobicContact CD2-CD1 4.36Å; M255-L317 HydrophobicContact CB-CD1 4.28Å; M255-L317 HydrophobicContact CB-CD2 4.18Å; Q256-L317 HydrophobicContact CB-CD2 4Å; Q256-L317 PolarHBondContact NE2-O 3.36Å; Q256-L317 VanDerWaalsContact OE1-CA 3.32Å; F309-L317 HydrophobicContact CE1-CD1 4.42Å; E313-L317 VanDerWaalsContact O-CG 3.31Å; E313-L317 WeakPolarHBondContact O-CG 3.31Å; E313-L317 PolarHBondContact O-N 3.21Å; E313-L317 VanDerWaalsContact O-N 3.09Å; L314-L317 HydrophobicContact CD2-CD1 4.35Å; L314-L317 PolarHBondContact O-N 3.04Å; L317-A321 WeakPolarHBondContact O-CB 3.45Å; L317-A321 PolarHBondContact O-N 3.05Å
318	F	98.8	Very high	98.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-74.9	-37.8	-179.5	-70.9	-74.4	0	0	0	112.8	I259 M272 L274 L314 E316 A321 L323 C351 Y353	I259-F318 HydrophobicContact CD1-CE1 4.19Å; I259-F318 HydrophobicContact CD1-CZ 4.45Å; I259-F318 HydrophobicContact CG2-CD1 3.96Å; I259-F318 HydrophobicContact CG2-CE1 4.3Å; M272-F318 HydrophobicContact CB-CE1 4.29Å; M272-F318 HydrophobicContact CG-CE1 3.95Å; M272-F318 HydrophobicContact SD-CD1 4.14Å; M272-F318 HydrophobicContact SD-CE1 3.52Å; M272-F318 VanDerWaalsContact SD-CE1 3.52Å; L274-F318 HydrophobicContact CB-CE2 4.5Å; L274-F318 HydrophobicContact CB-CZ 3.89Å; L274-F318 HydrophobicContact CD1-CE2 4.23Å; L274-F318 HydrophobicContact CD1-CZ 3.77Å; L274-F318 HydrophobicContact CG-CZ 4.37Å; L314-F318 HydrophobicContact CB-CD2 4.34Å; L314-F318 HydrophobicContact CB-CE2 4.21Å; L314-F318 HydrophobicContact CD2-CE2 4.03Å; L314-F318 WeakPolarHBondContact O-CD2 3.14Å; L314-F318 PolarHBondContact O-N 3.37Å; E316-F318 VanDerWaalsContact C-N 3.33Å; E316-F318 PolarHBondContact O-N 3.45Å; F318-A321 PolarHBondContact O-N 3.47Å; F318-L323 HydrophobicContact CD1-CD1 3.85Å; F318-L323 WeakPolarHBondContact O-CB 3.24Å; F318-L323 PolarHBondContact O-N 2.92Å; F318-C351 HydrophobicContact CE2-CB 4.13Å; F318-Y353 HydrophobicContact CB-CD1 3.37Å; F318-Y353 HydrophobicContact CB-CD2 3.84Å; F318-Y353 HydrophobicContact CB-CE1 3.57Å; F318-Y353 HydrophobicContact CB-CE2 4.03Å; F318-Y353 HydrophobicContact CB-CG 3.54Å; F318-Y353 AromaticContact CD1-CD2 3.99Å; F318-Y353 HydrophobicContact CD1-CD2 3.99Å; F318-Y353 HydrophobicContact CD1-CG 4Å; F318-Y353 AromaticContact CD2-CD2 3.51Å; F318-Y353 HydrophobicContact CD2-CD2 3.51Å; F318-Y353 AromaticContact CD2-CE2 3.43Å; F318-Y353 HydrophobicContact CD2-CE2 3.43Å; F318-Y353 VanDerWaalsContact CD2-CE2 3.43Å; F318-Y353 HydrophobicContact CD2-CG 4.13Å; F318-Y353 AromaticContact CD2-CZ 3.99Å; F318-Y353 HydrophobicContact CE1-CD2 4.43Å; F318-Y353 HydrophobicContact CE2-CD2 4.07Å; F318-Y353 HydrophobicContact CE2-CE2 4.1Å; F318-Y353 HydrophobicContact CG-CD1 4.03Å; F318-Y353 AromaticContact CG-CD2 3.52Å; F318-Y353 HydrophobicContact CG-CD2 3.52Å; F318-Y353 HydrophobicContact CG-CE1 4.3Å; F318-Y353 AromaticContact CG-CE2 3.84Å; F318-Y353 HydrophobicContact CG-CE2 3.84Å; F318-Y353 AromaticContact CG-CG 3.65Å; F318-Y353 HydrophobicContact CG-CG 3.65Å
319	A	98.7	Very high	98	Very high	46 Å²	46	53.9 Å²	53.9	38%	0.38	29%	0.286	S	S	.	.	H	α-helix	trans	-69.6	-41	-179.5	0	0	0	0	0	111.8	H315 E316 A321 G322	H315-A319 WeakPolarHBondContact O-CB 2.9Å; H315-A319 PolarHBondContact O-N 2.98Å; E316-A319 PolarHBondContact O-N 2.9Å; E316-A319 VanDerWaalsContact O-N 3.17Å; A319-A321 PolarHBondContact O-N 2.97Å; A319-G322 WeakPolarHBondContact O-CA 3.25Å; A319-G322 PolarHBondContact O-N 3.27Å
320	E	98.7	Very high	97.7	Very high	141 Å²	141	56.1 Å²	56.1	66%	0.659	30%	0.3	S	S	*	.	H	α-helix	trans	-64.5	-28.7	174.3	-71.9	-172.3	-171.9	0	0	112.4	Q256 E316 G322	Q256-E320 PolarHBondContact OE1-OE2 3.15Å; E316-E320 WeakPolarHBondContact O-CB 3.19Å; E316-E320 WeakPolarHBondContact O-CG 3.41Å; E316-E320 PolarHBondContact O-N 3.42Å; E320-G322 PolarHBondContact O-N 3.06Å
321	A	98.6	Very high	97.3	Very high	18 Å²	18	54.3 Å²	54.3	15%	0.149	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	5	170.6	0	0	0	0	0	113.9	I259 A263 L317 F318 A319	I259-A321 HydrophobicContact CG2-CB 3.71Å; A263-A321 HydrophobicContact CB-CB 4.14Å; L317-A321 WeakPolarHBondContact O-CB 3.45Å; L317-A321 PolarHBondContact O-N 3.05Å; F318-A321 PolarHBondContact O-N 3.47Å; A319-A321 PolarHBondContact O-N 2.97Å
322	G	98.6	Very high	96.9	Very high	44 Å²	44	55.1 Å²	55.1	45%	0.454	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	20.5	177.8	0	0	0	0	0	114.4	A319 E320 P356	A319-G322 WeakPolarHBondContact O-CA 3.25Å; A319-G322 PolarHBondContact O-N 3.27Å; E320-G322 PolarHBondContact O-N 3.06Å; G322-P356 WeakPolarHBondContact O-CD 3.36Å
323	L	98.8	Very high	96.5	Very high	8 Å²	8	51.9 Å²	51.9	4%	0.042	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-99.9	140.8	178.8	-54.6	170.3	0	0	0	111.6	A263 L266 M272 F318 Y353 R354 K355	A263-L323 HydrophobicContact CB-CD1 3.99Å; A263-L323 HydrophobicContact CB-CD2 3.97Å; A263-L323 HydrophobicContact CB-CG 4.02Å; L266-L323 HydrophobicContact CD1-CD2 4.13Å; M272-L323 HydrophobicContact CB-CD1 4.31Å; M272-L323 HydrophobicContact CE-CD1 3.95Å; M272-L323 HydrophobicContact SD-CD1 4.34Å; F318-L323 HydrophobicContact CD1-CD1 3.85Å; F318-L323 WeakPolarHBondContact O-CB 3.24Å; F318-L323 PolarHBondContact O-N 2.92Å; L323-Y353 HydrophobicContact CB-CD1 4.37Å; L323-R354 CarbonylContact C-O 3.55Å; L323-R354 WeakPolarHBondContact CA-O 3.41Å; L323-K355 HydrophobicContact CD2-CB 3.78Å; L323-K355 HydrophobicContact CD2-CG 4.31Å
324	E	98.6	Very high	95.9	Very high	111 Å²	111	49.8 Å²	49.8	52%	0.519	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	133.8	178.9	-68.2	176.7	175.3	0	0	111.4	V326 Y353 R354 P356	E324-V326 PolarHBondContact O-N 3.38Å; E324-Y353 CarbonylContact O-C 3.59Å; E324-Y353 VanDerWaalsContact O-CA 3.24Å; E324-Y353 WeakPolarHBondContact O-CA 3.36Å; E324-R354 PolarHBondContact N-O 3.07Å; E324-R354 PolarHBondContact O-N 3.1Å; E324-P356 HydrophobicContact CG-CG 4.03Å
325	K	98.6	Very high	95.3	Very high	111 Å²	111	52.4 Å²	52.4	48%	0.483	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	116.5	177.7	-174.9	167.7	61.6	-161.8	0	110.7	H315 N328 Y353	H315-K325 PolarHBondContact NE2-NZ 2.96Å; H315-K325 VanDerWaalsContact NE2-NZ 3.13Å; K325-N328 HydrophobicContact CD-CB 3.9Å; K325-N328 HydrophobicContact CG-CB 4.3Å; K325-Y353 VanDerWaalsContact CA-CD1 3.45Å; K325-Y353 VanDerWaalsContact CA-CE1 3.42Å; K325-Y353 HydrophobicContact CB-CD1 4.06Å; K325-Y353 HydrophobicContact CB-CE1 3.46Å; K325-Y353 VanDerWaalsContact CB-CE1 3.46Å; K325-Y353 HydrophobicContact CD-CE1 4.43Å; K325-Y353 HydrophobicContact CG-CE1 3.87Å
326	V	97.9	Very high	94.6	Very high	61 Å²	61	50.1 Å²	50.1	37%	0.37	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-42.4	169.2	-177.5	0	0	0	0	110.3	E324 K352 R354	E324-V326 PolarHBondContact O-N 3.38Å; V326-K352 WeakPolarHBondContact CA-O 3.32Å; V326-K352 HydrophobicContact CB-CB 4.28Å; V326-K352 HydrophobicContact CB-CD 4.08Å; V326-K352 HydrophobicContact CB-CG 3.91Å; V326-K352 WeakPolarHBondContact CB-O 3.49Å; V326-K352 HydrophobicContact CG1-CD 3.78Å; V326-K352 HydrophobicContact CG1-CG 4.2Å; V326-K352 HydrophobicContact CG2-CG 4.44Å; V326-K352 PolarHBondContact N-O 2.97Å; V326-R354 HydrophobicContact CG2-CB 3.66Å
327	Q	96.6	Very high	93.7	Very high	39 Å²	39	47.6 Å²	47.6	18%	0.182	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	138.8	179.1	-174.1	-179.3	-65.9	0	0	109.9	L329 C351 K352	Q327-L329 VanDerWaalsContact CD-CD1 3.48Å; Q327-L329 HydrophobicContact CG-CD1 3.61Å; Q327-L329 HydrophobicContact CG-CG 3.63Å; Q327-C351 CarbonylContact O-C 3.56Å; Q327-C351 WeakPolarHBondContact O-CA 3.47Å; Q327-K352 HydrophobicContact CB-CB 3.89Å; Q327-K352 PolarHBondContact N-O 2.98Å; Q327-K352 PolarHBondContact O-N 3.03Å
328	N	96.1	Very high	92.8	Very high	24 Å²	24	51.5 Å²	51.5	13%	0.128	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	109.2	170.3	-175	-8	0	0	0	106.9	Q311 K325 C351 Y353	Q311-N328 PolarHBondContact NE2-O 2.98Å; Q311-N328 PolarHBondContact NE2-OD1 3.13Å; Q311-N328 PolarHBondContact O-ND2 3.08Å; K325-N328 HydrophobicContact CD-CB 3.9Å; K325-N328 HydrophobicContact CG-CB 4.3Å; N328-C351 PolarHBondContact OD1-SG 3.14Å; N328-Y353 PolarHBondContact ND2-OH 2.96Å
329	L	93.7	Very high	91.8	Very high	63 Å²	63	55.2 Å²	55.2	33%	0.33	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	144.9	-171.6	-61.6	175.5	0	0	0	111.5	F34 Q311 Q327 I349 Q350	F34-L329 HydrophobicContact CE1-CD1 4.4Å; F34-L329 HydrophobicContact CE2-CD1 3.5Å; F34-L329 HydrophobicContact CZ-CD1 3.38Å; Q311-L329 VanDerWaalsContact NE2-CA 3.3Å; Q327-L329 VanDerWaalsContact CD-CD1 3.48Å; Q327-L329 HydrophobicContact CG-CD1 3.61Å; Q327-L329 HydrophobicContact CG-CG 3.63Å; L329-I349 WeakPolarHBondContact O-CA 3.43Å; L329-I349 WeakPolarHBondContact O-CG2 3.48Å; L329-Q350 PolarHBondContact N-O 2.79Å; L329-Q350 PolarHBondContact O-N 2.79Å
330	V	92.3	Very high	90.9	Very high	49 Å²	49	60.3 Å²	60.3	30%	0.297	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	122.3	165.1	-170.8	0	0	0	0	109.4	Q311 R332 V347 W348 I349	Q311-V330 HydrophobicContact CG-CG2 3.34Å; V330-R332 HydrophobicContact CG1-CG 3.92Å; V330-V347 HydrophobicContact CG1-CG1 3.46Å; V330-V347 VanDerWaalsContact CG1-CG1 3.46Å; V330-W348 CarbonylContact C-O 3.57Å; V330-W348 WeakPolarHBondContact CA-O 3.28Å; V330-I349 HydrophobicContact CG2-CG1 4.39Å
331	D	89.8	Confident	89.8	Confident	4 Å²	4	59 Å²	59	2%	0.021	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	101	174.6	177.5	11.4	0	0	0	109.6	R275 R333 V347 W348	R275-D331 IonicContact CZ-OD2 3.51Å; R275-D331 IonicContact NH1-OD2 2.92Å; R275-D331 PolarHBondContact NH1-OD2 2.69Å; R275-D331 IonicContact NH2-OD2 3.79Å; R275-D331 PolarHBondContact NH2-OD2 3.04Å; D331-R333 VanDerWaalsContact CG-NE 3.32Å; D331-R333 WeakPolarHBondContact OD1-CG 3.4Å; D331-R333 IonicContact OD1-CZ 2.8Å; D331-R333 IonicContact OD1-NE 3.54Å; D331-R333 PolarHBondContact OD1-NE 3.11Å; D331-R333 IonicContact OD1-NH2 3.13Å; D331-R333 IonicContact OD2-CZ 3.79Å; D331-R333 IonicContact OD2-NE 3.57Å; D331-R333 PolarHBondContact OD2-NE 3.44Å; D331-R333 IonicContact OD2-NH2 2.9Å; D331-R333 PolarHBondContact OD2-NH2 3.18Å; D331-V347 WeakPolarHBondContact O-CA 3.37Å; D331-W348 HydrophobicContact CB-CB 4.3Å; D331-W348 PolarHBondContact N-O 2.71Å; D331-W348 PolarHBondContact O-N 3.15Å
332	R	89.3	Confident	88.9	Confident	81 Å²	81	62.1 Å²	62.1	31%	0.306	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	115.5	176.2	-63.9	-176.7	179.1	-179.8	-0.8	110	N53 V54 V330 R346 V347	N53-R332 PolarHBondContact N-O 2.96Å; N53-R332 VanDerWaalsContact N-O 3.11Å; V54-R332 PolarHBondContact N-O 3.35Å; V54-R332 WeakPolarHBondContact O-CB 3.13Å; V54-R332 WeakPolarHBondContact O-CD 3.42Å; V330-R332 HydrophobicContact CG1-CG 3.92Å; R332-R346 WeakPolarHBondContact CA-O 3.44Å; R332-V347 HydrophobicContact CG-CG1 4.41Å; R332-V347 HydrophobicContact CG-CG2 4.49Å
333	R	89.2	Confident	88.2	Confident	44 Å²	44	63 Å²	63	17%	0.166	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	138	177.5	-52.6	-165.7	-170	175.3	1.1	111.8	W51 E112 D331 R346 W348	W51-R333 VanDerWaalsContact O-CA 3.31Å; W51-R333 WeakPolarHBondContact O-CA 3.23Å; E112-R333 IonicContact OE1-NH2 3.79Å; E112-R333 PolarHBondContact OE1-NH2 3.32Å; D331-R333 VanDerWaalsContact CG-NE 3.32Å; D331-R333 WeakPolarHBondContact OD1-CG 3.4Å; D331-R333 IonicContact OD1-CZ 2.8Å; D331-R333 IonicContact OD1-NE 3.54Å; D331-R333 PolarHBondContact OD1-NE 3.11Å; D331-R333 IonicContact OD1-NH2 3.13Å; D331-R333 IonicContact OD2-CZ 3.79Å; D331-R333 IonicContact OD2-NE 3.57Å; D331-R333 PolarHBondContact OD2-NE 3.44Å; D331-R333 IonicContact OD2-NH2 2.9Å; D331-R333 PolarHBondContact OD2-NH2 3.18Å; R333-R346 PolarHBondContact N-O 3.19Å; R333-R346 PolarHBondContact O-N 3.13Å; R333-W348 HydrophobicContact CB-CZ3 4.04Å; R333-W348 HydrophobicContact CG-CE3 4.41Å; R333-W348 HydrophobicContact CG-CZ3 3.9Å
334	L	86.5	Confident	87.6	Confident	3 Å²	3	64.6 Å²	64.6	2%	0.016	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	105.2	167.6	179.8	61.1	0	0	0	109	L39 V45 A50 W51 V54 V336 T343 Y345	L39-L334 HydrophobicContact CD2-CD2 3.77Å; V45-L334 HydrophobicContact CG2-CD2 3.63Å; V45-L334 HydrophobicContact CG2-CG 4.48Å; A50-L334 CarbonylContact C-O 3.38Å; A50-L334 VanDerWaalsContact CA-O 3.23Å; A50-L334 WeakPolarHBondContact CA-O 3.49Å; W51-L334 HydrophobicContact CB-CB 4.29Å; W51-L334 PolarHBondContact N-O 2.87Å; W51-L334 PolarHBondContact O-N 3.12Å; V54-L334 HydrophobicContact CB-CB 4.39Å; V54-L334 HydrophobicContact CG1-CB 4.49Å; V54-L334 HydrophobicContact CG2-CB 3.7Å; L334-V336 HydrophobicContact CG-CG2 4.3Å; L334-T343 HydrophobicContact CD1-CG2 4.15Å; L334-Y345 HydrophobicContact CB-CD1 4.5Å; L334-Y345 HydrophobicContact CB-CE1 4.42Å; L334-Y345 HydrophobicContact CD1-CD1 3.8Å; L334-Y345 HydrophobicContact CD1-CD2 4.14Å; L334-Y345 HydrophobicContact CD1-CE1 3.61Å; L334-Y345 HydrophobicContact CD1-CE2 3.95Å; L334-Y345 HydrophobicContact CD1-CG 4.07Å; L334-Y345 HydrophobicContact CD2-CE1 4.43Å; L334-Y345 HydrophobicContact CG-CE1 4.37Å
335	Q	85	Confident	87.2	Confident	55 Å²	55	62.5 Å²	62.5	26%	0.257	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	144	172.9	-66.6	-174.9	-17	0	0	110.5	A50 T343 M344 R346	A50-Q335 HydrophobicContact CB-CG 4.38Å; Q335-T343 CarbonylContact O-C 3.51Å; Q335-M344 HydrophobicContact CB-CB 4.17Å; Q335-M344 HydrophobicContact CB-CE 4.12Å; Q335-M344 PolarHBondContact N-O 3.17Å; Q335-M344 PolarHBondContact O-N 3.21Å; Q335-R346 HydrophobicContact CG-CG 4.02Å
336	V	83.4	Confident	86.9	Confident	9 Å²	9	59.5 Å²	59.5	6%	0.055	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	120.6	-174.5	-166.6	0	0	0	0	109.9	V45 F46 N49 L334 R338 L342	V45-V336 HydrophobicContact CG2-CG2 3.9Å; V45-V336 WeakPolarHBondContact O-CG2 3.42Å; F46-V336 HydrophobicContact CD1-CG1 3.19Å; F46-V336 HydrophobicContact CE1-CG1 3.24Å; F46-V336 HydrophobicContact CG-CG1 4.23Å; F46-V336 HydrophobicContact CZ-CG1 4.34Å; N49-V336 PolarHBondContact O-N 2.89Å; L334-V336 HydrophobicContact CG-CG2 4.3Å; V336-R338 PolarHBondContact O-N 3.31Å; V336-L342 CarbonylContact C-O 3.55Å; V336-L342 WeakPolarHBondContact CA-O 3.25Å
337	N	80.4	Confident	86.8	Confident	63 Å²	63	56.8 Å²	56.8	34%	0.337	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	100.5	167	-173.9	-40.7	0	0	0	108.5	G339 K340 Q341 L342 M344	N337-G339 PolarHBondContact O-N 3.3Å; N337-G339 PolarHBondContact OD1-N 3.26Å; N337-G339 VanDerWaalsContact OD1-N 3.13Å; N337-K340 HydrophobicContact CB-CB 4.5Å; N337-K340 PolarHBondContact O-N 2.74Å; N337-K340 PolarHBondContact OD1-N 2.95Å; N337-Q341 WeakPolarHBondContact O-CA 3.22Å; N337-Q341 PolarHBondContact O-N 2.85Å; N337-L342 HydrophobicContact CB-CB 4.28Å; N337-L342 PolarHBondContact N-O 2.91Å; N337-L342 PolarHBondContact O-N 2.87Å; N337-M344 HydrophobicContact CB-CE 4.41Å
338	R	79.6	Confident	86.7	Confident	108 Å²	108	55.7 Å²	55.7	41%	0.408	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-39.1	-178.9	-61.7	179.4	-175.2	-178	-1.8	113	F46 Q47 H48 N49 V336 K340 Q341	F46-R338 HydrophobicContact CD1-CG 4.49Å; F46-R338 VanDerWaalsContact O-CZ 3.28Å; F46-R338 PolarHBondContact O-NE 2.82Å; F46-R338 PolarHBondContact O-NH2 3.19Å; Q47-R338 PolarHBondContact O-NH2 3Å; H48-R338 VanDerWaalsContact N-NH2 3.19Å; N49-R338 VanDerWaalsContact OD1-CZ 3.27Å; N49-R338 PolarHBondContact OD1-NE 3.03Å; N49-R338 PolarHBondContact OD1-NH2 3.36Å; V336-R338 PolarHBondContact O-N 3.31Å; R338-K340 VanDerWaalsContact C-N 3.28Å; R338-K340 PolarHBondContact O-N 3.18Å; R338-Q341 PolarHBondContact O-N 2.93Å; R338-Q341 PolarHBondContact O-NE2 3.39Å
339	G	77.2	Confident	86.7	Confident	78 Å²	78	54.7 Å²	54.7	80%	0.804	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-30.9	-178.6	0	0	0	0	0	113.1	N337	N337-G339 PolarHBondContact O-N 3.3Å; N337-G339 PolarHBondContact OD1-N 3.26Å; N337-G339 VanDerWaalsContact OD1-N 3.13Å
340	K	80.3	Confident	86.8	Confident	152 Å²	152	51.7 Å²	51.7	66%	0.661	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	-1.4	177.4	-62.6	-172.7	176.5	-175.9	0	113.9	N337 R338 L342	N337-K340 HydrophobicContact CB-CB 4.5Å; N337-K340 PolarHBondContact O-N 2.74Å; N337-K340 PolarHBondContact OD1-N 2.95Å; R338-K340 VanDerWaalsContact C-N 3.28Å; R338-K340 PolarHBondContact O-N 3.18Å; K340-L342 HydrophobicContact CB-CB 4.46Å; K340-L342 HydrophobicContact CB-CD1 3.75Å; K340-L342 HydrophobicContact CB-CG 3.83Å; K340-L342 HydrophobicContact CD-CD1 4.08Å; K340-L342 PolarHBondContact O-N 2.8Å
341	Q	76.4	Confident	86.9	Confident	115 Å²	115	49.3 Å²	49.3	54%	0.537	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	39.9	-171.7	-62.6	-71.3	-63.7	0	0	112.9	F46 N337 R338	F46-Q341 HydrophobicContact CE1-CB 4.26Å; F46-Q341 HydrophobicContact CZ-CB 4.17Å; N337-Q341 WeakPolarHBondContact O-CA 3.22Å; N337-Q341 PolarHBondContact O-N 2.85Å; R338-Q341 PolarHBondContact O-N 2.93Å; R338-Q341 PolarHBondContact O-NE2 3.39Å
342	L	79.9	Confident	87.3	Confident	82 Å²	82	50.7 Å²	50.7	43%	0.429	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	131.7	-178.4	-67	172.8	0	0	0	111.2	V336 N337 K340	V336-L342 CarbonylContact C-O 3.55Å; V336-L342 WeakPolarHBondContact CA-O 3.25Å; N337-L342 HydrophobicContact CB-CB 4.28Å; N337-L342 PolarHBondContact N-O 2.91Å; N337-L342 PolarHBondContact O-N 2.87Å; K340-L342 HydrophobicContact CB-CB 4.46Å; K340-L342 HydrophobicContact CB-CD1 3.75Å; K340-L342 HydrophobicContact CB-CG 3.83Å; K340-L342 HydrophobicContact CD-CD1 4.08Å; K340-L342 PolarHBondContact O-N 2.8Å
343	T	82.3	Confident	87.8	Confident	64 Å²	64	46.9 Å²	46.9	39%	0.393	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	143.8	168	50.2	0	0	0	0	110.6	V45 L334 Q335	V45-T343 HydrophobicContact CG2-CG2 4Å; L334-T343 HydrophobicContact CD1-CG2 4.15Å; Q335-T343 CarbonylContact O-C 3.51Å
344	M	86.6	Confident	88.2	Confident	40 Å²	40	49.1 Å²	49.1	20%	0.197	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	104.5	-174.8	-64.9	-175.9	-67.6	0	0	108.7	M282 Q335 N337 R346	M282-M344 HydrophobicContact CE-CB 3.99Å; M282-M344 HydrophobicContact CE-CG 3.99Å; M282-M344 HydrophobicContact CE-SD 3.88Å; M282-M344 HydrophobicContact SD-CB 3.39Å; M282-M344 WeakPolarHBondContact SD-CB 3.43Å; M282-M344 HydrophobicContact SD-CG 3.39Å; M282-M344 WeakPolarHBondContact SD-CG 3.47Å; M282-M344 HydrophobicContact SD-SD 4.06Å; Q335-M344 HydrophobicContact CB-CB 4.17Å; Q335-M344 HydrophobicContact CB-CE 4.12Å; Q335-M344 PolarHBondContact N-O 3.17Å; Q335-M344 PolarHBondContact O-N 3.21Å; N337-M344 HydrophobicContact CB-CE 4.41Å; M344-R346 PolarHBondContact O-N 3.44Å
345	Y	90.1	Very high	88.8	Confident	68 Å²	68	51.4 Å²	51.4	27%	0.267	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	117.4	175.4	-67.1	-85.2	0	0	0	109.7	V54 W56 Q60 M282 L334	V54-Y345 HydrophobicContact CG1-CE1 3.96Å; W56-Y345 HydrophobicContact CZ2-CG 4.22Å; W56-Y345 AromaticContact NE1-CD1 3.45Å; W56-Y345 AromaticContact NE1-CG 3.98Å; Q60-Y345 PolarHBondContact NE2-OH 3.13Å; M282-Y345 WeakPolarHBondContact CB-O 3.4Å; M282-Y345 PolarHBondContact N-O 3.36Å; M282-Y345 VanDerWaalsContact N-O 3.1Å; L334-Y345 HydrophobicContact CB-CD1 4.5Å; L334-Y345 HydrophobicContact CB-CE1 4.42Å; L334-Y345 HydrophobicContact CD1-CD1 3.8Å; L334-Y345 HydrophobicContact CD1-CD2 4.14Å; L334-Y345 HydrophobicContact CD1-CE1 3.61Å; L334-Y345 HydrophobicContact CD1-CE2 3.95Å; L334-Y345 HydrophobicContact CD1-CG 4.07Å; L334-Y345 HydrophobicContact CD2-CE1 4.43Å; L334-Y345 HydrophobicContact CG-CE1 4.37Å
346	R	92.8	Very high	89.4	Confident	47 Å²	47	51.3 Å²	51.3	18%	0.177	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	137.3	179.3	-57.5	-56.1	-57.4	-84.6	0.7	109.6	D281 R332 R333 Q335 M344 W348	D281-R346 IonicContact OD1-NE 2.69Å; D281-R346 IonicContact OD1-NH2 2.92Å; D281-R346 WeakPolarHBondContact OD2-CA 3.32Å; D281-R346 IonicContact OD2-CZ 3.72Å; D281-R346 IonicContact OD2-NE 3.22Å; D281-R346 PolarHBondContact OD2-NE 3.05Å; D281-R346 IonicContact OD2-NH2 3.63Å; R332-R346 WeakPolarHBondContact CA-O 3.44Å; R333-R346 PolarHBondContact N-O 3.19Å; R333-R346 PolarHBondContact O-N 3.13Å; Q335-R346 HydrophobicContact CG-CG 4.02Å; M344-R346 PolarHBondContact O-N 3.44Å; R346-W348 HydrophobicContact CB-CE3 4Å; R346-W348 HydrophobicContact CB-CH2 3.25Å; R346-W348 HydrophobicContact CB-CZ2 3.81Å; R346-W348 HydrophobicContact CB-CZ3 3.34Å; R346-W348 HydrophobicContact CG-CH2 3.66Å; R346-W348 HydrophobicContact CG-CZ2 4.16Å; R346-W348 HydrophobicContact CG-CZ3 4.21Å; R346-W348 VanDerWaalsContact CZ-CZ2 3.47Å
347	V	94.6	Very high	89.6	Confident	4 Å²	4	58.3 Å²	58.3	2%	0.024	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	119.6	179.5	-169.5	0	0	0	0	107.8	W56 G278 D281 V330 D331 R332	W56-V347 HydrophobicContact CZ2-CG2 4.33Å; G278-V347 PolarHBondContact N-O 2.99Å; D281-V347 HydrophobicContact CB-CB 4.09Å; D281-V347 PolarHBondContact OD2-N 3.4Å; V330-V347 HydrophobicContact CG1-CG1 3.46Å; V330-V347 VanDerWaalsContact CG1-CG1 3.46Å; D331-V347 WeakPolarHBondContact O-CA 3.37Å; R332-V347 HydrophobicContact CG-CG1 4.41Å; R332-V347 HydrophobicContact CG-CG2 4.49Å
348	W	95	Very high	90.1	Very high	17 Å²	17	58.1 Å²	58.1	6%	0.064	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	155.4	171.7	-63.6	-73.4	0	0	0	109.5	F245 D276 V330 D331 R333 R346	F245-W348 AromaticContact CE1-CD1 3.48Å; F245-W348 VanDerWaalsContact CE1-CD1 3.48Å; F245-W348 AromaticContact CE1-NE1 3.56Å; F245-W348 AromaticContact CZ-CD1 3.68Å; F245-W348 AromaticContact CZ-NE1 3.53Å; D276-W348 CarbonylContact O-C 3.54Å; D276-W348 VanDerWaalsContact O-CA 3.28Å; D276-W348 WeakPolarHBondContact O-CA 3.34Å; D276-W348 WeakPolarHBondContact O-CB 3.29Å; V330-W348 CarbonylContact C-O 3.57Å; V330-W348 WeakPolarHBondContact CA-O 3.28Å; D331-W348 HydrophobicContact CB-CB 4.3Å; D331-W348 PolarHBondContact N-O 2.71Å; D331-W348 PolarHBondContact O-N 3.15Å; R333-W348 HydrophobicContact CB-CZ3 4.04Å; R333-W348 HydrophobicContact CG-CE3 4.41Å; R333-W348 HydrophobicContact CG-CZ3 3.9Å; R346-W348 HydrophobicContact CB-CE3 4Å; R346-W348 HydrophobicContact CB-CH2 3.25Å; R346-W348 HydrophobicContact CB-CZ2 3.81Å; R346-W348 HydrophobicContact CB-CZ3 3.34Å; R346-W348 HydrophobicContact CG-CH2 3.66Å; R346-W348 HydrophobicContact CG-CZ2 4.16Å; R346-W348 HydrophobicContact CG-CZ3 4.21Å; R346-W348 VanDerWaalsContact CZ-CZ2 3.47Å
349	I	95.8	Very high	90.6	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	137.2	167.2	-60	-175.7	0	0	0	108.1	R275 D276 F309 T310 Q311 L314 L329 V330	R275-I349 VanDerWaalsContact CA-O 3.3Å; R275-I349 WeakPolarHBondContact CA-O 3.31Å; D276-I349 PolarHBondContact N-O 3.22Å; D276-I349 PolarHBondContact O-N 3.21Å; F309-I349 HydrophobicContact CB-CD1 4.02Å; F309-I349 WeakPolarHBondContact O-CD1 3.46Å; T310-I349 WeakPolarHBondContact O-CD1 3.46Å; Q311-I349 HydrophobicContact CG-CD1 4.19Å; L314-I349 HydrophobicContact CD1-CB 3.9Å; L314-I349 HydrophobicContact CD1-CD1 4.12Å; L314-I349 HydrophobicContact CD1-CG2 3.49Å; L314-I349 VanDerWaalsContact CD1-CG2 3.49Å; L329-I349 WeakPolarHBondContact O-CA 3.43Å; L329-I349 WeakPolarHBondContact O-CG2 3.48Å; V330-I349 HydrophobicContact CG2-CG1 4.39Å
350	Q	95.7	Very high	91.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	123.6	176.6	-168.1	-168.4	7.5	0	0	109.8	F34 E112 F113 L274 L329	F34-Q350 VanDerWaalsContact CZ-OE1 3.3Å; E112-Q350 PolarHBondContact O-NE2 2.74Å; F113-Q350 HydrophobicContact CE1-CG 3.83Å; F113-Q350 HydrophobicContact CZ-CG 3.88Å; L274-Q350 CarbonylContact O-C 3.6Å; L274-Q350 VanDerWaalsContact O-CA 3.31Å; L274-Q350 WeakPolarHBondContact O-CA 3.37Å; L329-Q350 PolarHBondContact N-O 2.79Å; L329-Q350 PolarHBondContact O-N 2.79Å
351	C	96	Very high	92	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	147.1	-176.3	-64.6	0	0	0	0	111.4	L274 F318 Q327 N328 Y353	L274-C351 HydrophobicContact CB-CB 4.19Å; L274-C351 HydrophobicContact CD2-CB 4.33Å; L274-C351 PolarHBondContact N-O 2.67Å; L274-C351 PolarHBondContact O-N 3.27Å; F318-C351 HydrophobicContact CE2-CB 4.13Å; Q327-C351 CarbonylContact O-C 3.56Å; Q327-C351 WeakPolarHBondContact O-CA 3.47Å; N328-C351 PolarHBondContact OD1-SG 3.14Å; C351-Y353 HydrophobicContact CB-CD2 3.95Å; C351-Y353 HydrophobicContact CB-CE2 3.72Å
352	K	98.3	Very high	93	Very high	33 Å²	33	44.3 Å²	44.3	14%	0.143	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	121.8	165.9	179.6	-179.5	172.9	-176.6	0	108.1	E115 M272 L273 V326 Q327	E115-K352 WeakPolarHBondContact OE1-CE 3.27Å; E115-K352 IonicContact OE1-NZ 3.32Å; E115-K352 PolarHBondContact OE1-NZ 2.92Å; M272-K352 WeakPolarHBondContact O-CA 3.13Å; L273-K352 HydrophobicContact CD2-CB 4.11Å; L273-K352 HydrophobicContact CD2-CD 4.15Å; L273-K352 HydrophobicContact CD2-CG 3.69Å; V326-K352 WeakPolarHBondContact CA-O 3.32Å; V326-K352 HydrophobicContact CB-CB 4.28Å; V326-K352 HydrophobicContact CB-CD 4.08Å; V326-K352 HydrophobicContact CB-CG 3.91Å; V326-K352 WeakPolarHBondContact CB-O 3.49Å; V326-K352 HydrophobicContact CG1-CD 3.78Å; V326-K352 HydrophobicContact CG1-CG 4.2Å; V326-K352 HydrophobicContact CG2-CG 4.44Å; V326-K352 PolarHBondContact N-O 2.97Å; Q327-K352 HydrophobicContact CB-CB 3.89Å; Q327-K352 PolarHBondContact N-O 2.98Å; Q327-K352 PolarHBondContact O-N 3.03Å
353	Y	98.7	Very high	93.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	147.3	176.5	-75.6	-100.7	0	0	0	109.4	V271 M272 H315 F318 L323 E324 K325 N328 C351	V271-Y353 CarbonylContact C-O 3.58Å; V271-Y353 VanDerWaalsContact CA-O 3.3Å; V271-Y353 WeakPolarHBondContact CA-O 3.46Å; M272-Y353 PolarHBondContact N-O 2.95Å; M272-Y353 PolarHBondContact O-N 3.14Å; H315-Y353 VanDerWaalsContact CA-OH 3.26Å; H315-Y353 WeakPolarHBondContact CA-OH 3.28Å; H315-Y353 WeakPolarHBondContact CB-OH 3.45Å; H315-Y353 AromaticContact ND1-CE1 3.69Å; H315-Y353 AromaticContact ND1-CZ 3.9Å; H315-Y353 PolarHBondContact ND1-OH 3.36Å; F318-Y353 HydrophobicContact CB-CD1 3.37Å; F318-Y353 HydrophobicContact CB-CD2 3.84Å; F318-Y353 HydrophobicContact CB-CE1 3.57Å; F318-Y353 HydrophobicContact CB-CE2 4.03Å; F318-Y353 HydrophobicContact CB-CG 3.54Å; F318-Y353 AromaticContact CD1-CD2 3.99Å; F318-Y353 HydrophobicContact CD1-CD2 3.99Å; F318-Y353 HydrophobicContact CD1-CG 4Å; F318-Y353 AromaticContact CD2-CD2 3.51Å; F318-Y353 HydrophobicContact CD2-CD2 3.51Å; F318-Y353 AromaticContact CD2-CE2 3.43Å; F318-Y353 HydrophobicContact CD2-CE2 3.43Å; F318-Y353 VanDerWaalsContact CD2-CE2 3.43Å; F318-Y353 HydrophobicContact CD2-CG 4.13Å; F318-Y353 AromaticContact CD2-CZ 3.99Å; F318-Y353 HydrophobicContact CE1-CD2 4.43Å; F318-Y353 HydrophobicContact CE2-CD2 4.07Å; F318-Y353 HydrophobicContact CE2-CE2 4.1Å; F318-Y353 HydrophobicContact CG-CD1 4.03Å; F318-Y353 AromaticContact CG-CD2 3.52Å; F318-Y353 HydrophobicContact CG-CD2 3.52Å; F318-Y353 HydrophobicContact CG-CE1 4.3Å; F318-Y353 AromaticContact CG-CE2 3.84Å; F318-Y353 HydrophobicContact CG-CE2 3.84Å; F318-Y353 AromaticContact CG-CG 3.65Å; F318-Y353 HydrophobicContact CG-CG 3.65Å; L323-Y353 HydrophobicContact CB-CD1 4.37Å; E324-Y353 CarbonylContact O-C 3.59Å; E324-Y353 VanDerWaalsContact O-CA 3.24Å; E324-Y353 WeakPolarHBondContact O-CA 3.36Å; K325-Y353 VanDerWaalsContact CA-CD1 3.45Å; K325-Y353 VanDerWaalsContact CA-CE1 3.42Å; K325-Y353 HydrophobicContact CB-CD1 4.06Å; K325-Y353 HydrophobicContact CB-CE1 3.46Å; K325-Y353 VanDerWaalsContact CB-CE1 3.46Å; K325-Y353 HydrophobicContact CD-CE1 4.43Å; K325-Y353 HydrophobicContact CG-CE1 3.87Å; N328-Y353 PolarHBondContact ND2-OH 2.96Å; C351-Y353 HydrophobicContact CB-CD2 3.95Å; C351-Y353 HydrophobicContact CB-CE2 3.72Å
354	R	98.7	Very high	94.7	Very high	92 Å²	92	40.2 Å²	40.2	35%	0.347	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.3	-176.5	179.9	-178.2	-68.2	132.8	-5.2	109.8	G270 V271 L323 E324 V326	G270-R354 CarbonylContact O-C 3.57Å; G270-R354 WeakPolarHBondContact O-CA 3.35Å; V271-R354 HydrophobicContact CG1-CB 4.12Å; V271-R354 HydrophobicContact CG1-CG 4.17Å; L323-R354 CarbonylContact C-O 3.55Å; L323-R354 WeakPolarHBondContact CA-O 3.41Å; E324-R354 PolarHBondContact N-O 3.07Å; E324-R354 PolarHBondContact O-N 3.1Å; V326-R354 HydrophobicContact CG2-CB 3.66Å
355	K	98.6	Very high	95.4	Very high	51 Å²	51	40.2 Å²	40.2	22%	0.222	20%	0.204	C	C	.	.			trans	-73.1	129	167.8	-171.3	166	-178.5	170.5	0	109.6	A263 G264 L266 G269 G270 L323	A263-K355 WeakPolarHBondContact O-CD 3.39Å; A263-K355 PolarHBondContact O-NZ 3.05Å; G264-K355 PolarHBondContact O-NZ 3.25Å; L266-K355 HydrophobicContact CB-CB 4.2Å; L266-K355 HydrophobicContact CB-CD 3.75Å; L266-K355 HydrophobicContact CD1-CB 4.43Å; L266-K355 WeakPolarHBondContact O-CD 3.47Å; L266-K355 WeakPolarHBondContact O-CE 3.37Å; L266-K355 PolarHBondContact O-NZ 3.29Å; G269-K355 VanDerWaalsContact CA-O 3.26Å; G269-K355 WeakPolarHBondContact CA-O 3.32Å; G269-K355 PolarHBondContact N-O 3.48Å; G270-K355 PolarHBondContact O-N 2.86Å; L323-K355 HydrophobicContact CD2-CB 3.78Å; L323-K355 HydrophobicContact CD2-CG 4.31Å
356	P	97.4	Very high	95.8	Very high	53 Å²	53	37.9 Å²	37.9	34%	0.344	20%	0.199	S	C	.	.			trans	-50.1	147.4	175.5	-27	33.5	0	0	0	112.6	P268 G322 E324	P268-P356 WeakPolarHBondContact CA-O 3.39Å; G322-P356 WeakPolarHBondContact O-CD 3.36Å; E324-P356 HydrophobicContact CG-CG 4.03Å
357	C	87.9	Confident	96.1	Very high	156 Å²	156	37.1 Å²	37.1	100%	1.054	20%	0.201	S	C	*	.			trans	-75.5	0	-179.7	-67.8	0	0	0	0	113.3	P268	P268-C357 VanDerWaalsContact CB-OXT 3.27Å; P268-C357 WeakPolarHBondContact CB-OXT 3.24Å

Retrieved 357 of 357 residues in 153.9 ms (Link to these results)

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